N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide

C21H27ClN2O3 — CID 129303779

IUPACN-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide
SMILESCCOc1cccc(OCCN(C)C)c1C(=O)N(C)c1ccc(Cl)c(C)c1
InChIInChI=1S/C21H27ClN2O3/c1-6-26-18-8-7-9-19(27-13-12-23(3)4)20(18)21(25)24(5)16-10-11-17(22)15(2)14-16/h7-11,14H,6,12-13H2,1-5H3
InChIKeyHJNFPMZOCPYXEQ-UHFFFAOYSA-N
MW390.91 g/mol
LogP4.26
Rot. Bonds8

About N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide

N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide (PubChem CID 129303779) has the molecular formula C21H27ClN2O3 and a molecular weight of 390.91 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide
PubChem CID129303779
Molecular FormulaC21H27ClN2O3
Molecular Weight390.91 g/mol
Exact Mass390.17
IUPAC NameN-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide
SMILESCCOc1cccc(OCCN(C)C)c1C(=O)N(C)c1ccc(Cl)c(C)c1
InChIInChI=1S/C21H27ClN2O3/c1-6-26-18-8-7-9-19(27-13-12-23(3)4)20(18)21(25)24(5)16-10-11-17(22)15(2)14-16/h7-11,14H,6,12-13H2,1-5H3
InChIKeyHJNFPMZOCPYXEQ-UHFFFAOYSA-N
XLogP4.26
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.91
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-chloro-3-methylphenyl)iminomethyl]-3-ethoxyphenoxy]-N,N-dimethylethanamine
CID 134195694
N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-N,6-dimethylbenzamide;N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]benzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione
CID 161394430
2-amino-6-ethoxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107733158
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide;2-ethoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 161187250
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 162589205
1-[2-[2-(dimethylamino)ethoxy]-6-hydroxyphenyl]propan-1-one
CID 71450597
N-(4-chloro-3-methylphenyl)-4-[2-(dimethylamino)ethoxy]-6-ethoxypyrimidine-5-carboxamide
CID 129087164
3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 112800692
2-[2-[(4-chloro-3-methylphenyl)carbamoyl]-3-ethoxyphenoxy]ethyl-trimethylazanium;N-(4-chloro-3-methylphenyl)-2-ethoxy-N-methyl-6-phenylmethoxybenzamide;N-(4-chloro-3-methylphenyl)-2-ethoxy-6-phenylmethoxybenzamide;2-[(4-chloro-3-methylphenyl)methyl]-4-[2-(dimethylamino)ethoxy]isoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-ethoxyisoindole-1,3-dione;2-[(4-chloro-3-methylphenyl)methyl]-4-hydroxyisoindole-1,3-dione;7-hydroxy-2-[4-methyl-3-(trifluoromethyl)phenyl]-3H-isoindol-1-one;iodide
CID 158114674
2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-[5-methyl-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 164971040
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
2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-(6-ethyl-5-fluoro-3-pyridinyl)benzamide
CID 176689227

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide (CID 129303779) is N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide is CCOc1cccc(OCCN(C)C)c1C(=O)N(C)c1ccc(Cl)c(C)c1.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide?
The InChIKey is HJNFPMZOCPYXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3/c1-6-26-18-8-7-9-19(27-13-12-23(3)4)20(18)21(25)24(5)16-10-11-17(22)15(2)14-16/h7-11,14H,6,12-13H2,1-5H3.
What are the key properties of N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide?
N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide has a molecular weight of 390.91 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-[2-(dimethylamino)ethoxy]-6-ethoxy-N-methylbenzamide is sourced from PubChem (CID 129303779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).