N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide

C105H133Cl5N10O10 — CID 158301434

IUPACN-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide
SMILESCCN(CC)CCCOc1cccc(C)c1C(=O)Nc1ccc(Cl)c(C)c1.CCN(CC)CCOc1cccc(C)c1C(=O)Nc1ccc(Cl)c(C)c1.Cc1cc(NC(=O)c2c(C)cccc2OCCC(C)C)ccc1Cl.Cc1cc(NC(=O)c2c(C)cccc2OCCCN(C)C)ccc1Cl.Cc1cc(NC(=O)c2c(C)cccc2OCCN2CCN(C)CC2)ccc1Cl
InChIInChI=1S/C22H28ClN3O2.C22H29ClN2O2.C21H27ClN2O2.C20H25ClN2O2.C20H24ClNO2/c1-16-5-4-6-20(28-14-13-26-11-9-25(3)10-12-26)21(16)22(27)24-18-7-8-19(23)17(2)15-18;1-5-25(6-2)13-8-14-27-20-10-7-9-16(3)21(20)22(26)24-18-11-12-19(23)17(4)15-18;1-5-24(6-2)12-13-26-19-9-7-8-15(3)20(19)21(25)23-17-10-11-18(22)16(4)14-17;1-14-7-5-8-18(25-12-6-11-23(3)4)19(14)20(24)22-16-9-10-17(21)15(2)13-16;1-13(2)10-11-24-18-7-5-6-14(3)19(18)20(23)22-16-8-9-17(21)15(4)12-16/h4-8,15H,9-14H2,1-3H3,(H,24,27);7,9-12,15H,5-6,8,13-14H2,1-4H3,(H,24,26);7-11,14H,5-6,12-13H2,1-4H3,(H,23,25);5,7-10,13H,6,11-12H2,1-4H3,(H,22,24);5-9,12-13H,10-11H2,1-4H3,(H,22,23)
InChIKeyGMNSVDRVHDSZSV-UHFFFAOYSA-N
MW1872.54 g/mol
LogP24.26
Rot. Bonds36

About N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide

N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide (PubChem CID 158301434) has the molecular formula C105H133Cl5N10O10 and a molecular weight of 1872.54 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide
PubChem CID158301434
Molecular FormulaC105H133Cl5N10O10
Molecular Weight1872.54 g/mol
Exact Mass1868.86
IUPAC NameN-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide
SMILESCCN(CC)CCCOc1cccc(C)c1C(=O)Nc1ccc(Cl)c(C)c1.CCN(CC)CCOc1cccc(C)c1C(=O)Nc1ccc(Cl)c(C)c1.Cc1cc(NC(=O)c2c(C)cccc2OCCC(C)C)ccc1Cl.Cc1cc(NC(=O)c2c(C)cccc2OCCCN(C)C)ccc1Cl.Cc1cc(NC(=O)c2c(C)cccc2OCCN2CCN(C)CC2)ccc1Cl
InChIInChI=1S/C22H28ClN3O2.C22H29ClN2O2.C21H27ClN2O2.C20H25ClN2O2.C20H24ClNO2/c1-16-5-4-6-20(28-14-13-26-11-9-25(3)10-12-26)21(16)22(27)24-18-7-8-19(23)17(2)15-18;1-5-25(6-2)13-8-14-27-20-10-7-9-16(3)21(20)22(26)24-18-11-12-19(23)17(4)15-18;1-5-24(6-2)12-13-26-19-9-7-8-15(3)20(19)21(25)23-17-10-11-18(22)16(4)14-17;1-14-7-5-8-18(25-12-6-11-23(3)4)19(14)20(24)22-16-9-10-17(21)15(2)13-16;1-13(2)10-11-24-18-7-5-6-14(3)19(18)20(23)22-16-8-9-17(21)15(4)12-16/h4-8,15H,9-14H2,1-3H3,(H,24,27);7,9-12,15H,5-6,8,13-14H2,1-4H3,(H,24,26);7-11,14H,5-6,12-13H2,1-4H3,(H,23,25);5,7-10,13H,6,11-12H2,1-4H3,(H,22,24);5-9,12-13H,10-11H2,1-4H3,(H,22,23)
InChIKeyGMNSVDRVHDSZSV-UHFFFAOYSA-N
XLogP24.26
TPSA207.85 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds36
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001872.54
LogP ≤ 524.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide with MolForge

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Related Compounds

4-chloro-N-[[2-[2-(dimethylamino)ethoxy]-6-methylphenyl]methyl]-3-methylaniline;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide
CID 157398930
N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide;2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]benzamide
CID 157101806
N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-morpholin-4-ylethoxy)benzamide
CID 134195679
N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-5-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-morpholin-4-ylethoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(2-piperidin-1-ylethoxy)benzamide
CID 161240938
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(dimethylamino)propoxy]-6-methylbenzamide
CID 129087176
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide
CID 67981550
N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide
CID 129087164
2-methyl-N-[4-[[2-(3-methylbutoxy)benzoyl]amino]phenyl]benzamide
CID 17251615
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopentyloxy-6-[2-(dimethylamino)ethoxy]benzamide
CID 53246219
N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide
CID 129303779
3-bromo-N-(3,4-dichlorophenyl)-4-(3-methylbutoxy)benzamide
CID 17339348
2-butyl-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-benzofuran-3-carboxamide
CID 167782612

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide (CID 158301434) is N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide is CCN(CC)CCCOc1cccc(C)c1C(=O)Nc1ccc(Cl)c(C)c1.CCN(CC)CCOc1cccc(C)c1C(=O)Nc1ccc(Cl)c(C)c1.Cc1cc(NC(=O)c2c(C)cccc2OCCC(C)C)ccc1Cl.Cc1cc(NC(=O)c2c(C)cccc2OCCCN(C)C)ccc1Cl.Cc1cc(NC(=O)c2c(C)cccc2OCCN2CCN(C)CC2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide?
The InChIKey is GMNSVDRVHDSZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2.C22H29ClN2O2.C21H27ClN2O2.C20H25ClN2O2.C20H24ClNO2/c1-16-5-4-6-20(28-14-13-26-11-9-25(3)10-12-26)21(16)22(27)24-18-7-8-19(23)17(2)15-18;1-5-25(6-2)13-8-14-27-20-10-7-9-16(3)21(20)22(26)24-18-11-12-19(23)17(4)15-18;1-5-24(6-2)12-13-26-19-9-7-8-15(3)20(19)21(25)23-17-10-11-18(22)16(4)14-17;1-14-7-5-8-18(25-12-6-11-23(3)4)19(14)20(24)22-16-9-10-17(21)15(2)13-16;1-13(2)10-11-24-18-7-5-6-14(3)19(18)20(23)22-16-8-9-17(21)15(4)12-16/h4-8,15H,9-14H2,1-3H3,(H,24,27);7,9-12,15H,5-6,8,13-14H2,1-4H3,(H,24,26);7-11,14H,5-6,12-13H2,1-4H3,(H,23,25);5,7-10,13H,6,11-12H2,1-4H3,(H,22,24);5-9,12-13H,10-11H2,1-4H3,(H,22,23).
What are the key properties of N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide?
N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide has a molecular weight of 1872.54 g/mol, XLogP of 24.26, 36 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-[2-(diethylamino)ethoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(diethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-[3-(dimethylamino)propoxy]-6-methylbenzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-(3-methylbutoxy)benzamide;N-(4-chloro-3-methylphenyl)-2-methyl-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzamide is sourced from PubChem (CID 158301434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).