2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide

C21H26Cl2N2O3 — CID 55931317

IUPAC2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C21H26Cl2N2O3/c1-4-25(5-2)10-11-28-19-9-6-15(12-20(19)27-3)14-24-21(26)17-8-7-16(22)13-18(17)23/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,24,26)
InChIKeyDRZDCCIACCBENS-UHFFFAOYSA-N
MW425.36 g/mol
LogP4.65
Rot. Bonds10

About 2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide

2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide (PubChem CID 55931317) has the molecular formula C21H26Cl2N2O3 and a molecular weight of 425.36 g/mol. Its IUPAC name is 2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide
PubChem CID55931317
Molecular FormulaC21H26Cl2N2O3
Molecular Weight425.36 g/mol
Exact Mass424.13
IUPAC Name2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C21H26Cl2N2O3/c1-4-25(5-2)10-11-28-19-9-6-15(12-20(19)27-3)14-24-21(26)17-8-7-16(22)13-18(17)23/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,24,26)
InChIKeyDRZDCCIACCBENS-UHFFFAOYSA-N
XLogP4.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-2,4-dichlorobenzamide
CID 46762566
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-(trifluoromethyl)benzamide
CID 55931191
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55931587
4-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 20992977
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55931330
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-2,7-dimethylquinoline-3-carboxamide
CID 60547561
N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60547647
2,4-dichloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15137000
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide
CID 120644583
5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 142875477

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide (CID 55931317) is 2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide is CCN(CC)CCOc1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of 2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide?
The InChIKey is DRZDCCIACCBENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O3/c1-4-25(5-2)10-11-28-19-9-6-15(12-20(19)27-3)14-24-21(26)17-8-7-16(22)13-18(17)23/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,24,26).
What are the key properties of 2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide?
2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide has a molecular weight of 425.36 g/mol, XLogP of 4.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide is sourced from PubChem (CID 55931317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).