N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide

C17H19ClN2O — CID 78768490

IUPACN-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C17H19ClN2O/c1-19(2)16-6-4-5-14(11-16)17(21)20(3)12-13-7-9-15(18)10-8-13/h4-11H,12H2,1-3H3
InChIKeyCNOVCRWRRKIDEH-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.68
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide

N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide (PubChem CID 78768490) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
PubChem CID78768490
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C17H19ClN2O/c1-19(2)16-6-4-5-14(11-16)17(21)20(3)12-13-7-9-15(18)10-8-13/h4-11H,12H2,1-3H3
InChIKeyCNOVCRWRRKIDEH-UHFFFAOYSA-N
XLogP3.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 78781530
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26731707
3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551926
N-benzyl-3-[[2-(4-chlorophenyl)acetyl]amino]-N-methylbenzamide
CID 26162876
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
3-N-benzyl-1-N-(4-chlorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054551
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
N-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 46772102
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 26665113
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
N-[4-(aminomethyl)phenyl]-3-(dimethylamino)-N-methylbenzamide
CID 43275421
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide (CID 78768490) is N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide is CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide?
The InChIKey is CNOVCRWRRKIDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-19(2)16-6-4-5-14(11-16)17(21)20(3)12-13-7-9-15(18)10-8-13/h4-11H,12H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide?
N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide is sourced from PubChem (CID 78768490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).