N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide

C17H19ClN2O — CID 63213909

IUPACN-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C17H19ClN2O/c1-12-10-14(6-9-16(12)19-2)17(21)20(3)11-13-4-7-15(18)8-5-13/h4-10,19H,11H2,1-3H3
InChIKeyBSLIJPBDNCNZBF-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.96
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide

N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide (PubChem CID 63213909) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide
PubChem CID63213909
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C17H19ClN2O/c1-12-10-14(6-9-16(12)19-2)17(21)20(3)11-13-4-7-15(18)8-5-13/h4-10,19H,11H2,1-3H3
InChIKeyBSLIJPBDNCNZBF-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619
N-[(4-chlorophenyl)methyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 31991118
5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62171405
N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide
CID 55162088
4-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 63213175
N,3-dimethyl-4-(methylamino)-N-(2-methylpropyl)benzamide
CID 63210523
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
N,3-dimethyl-4-(methylamino)-N-(3-methylbutyl)benzamide
CID 63213774
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
N,3-dimethyl-N-[(4-methylphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28570514
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 28568554

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide (CID 63213909) is N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide is CNc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide?
The InChIKey is BSLIJPBDNCNZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-10-14(6-9-16(12)19-2)17(21)20(3)11-13-4-7-15(18)8-5-13/h4-10,19H,11H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide?
N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide has a molecular weight of 302.81 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide is sourced from PubChem (CID 63213909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).