5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide

C17H19ClN2O — CID 62171405

IUPAC5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
SMILESCNc1ccc(Cl)cc1C(=O)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C17H19ClN2O/c1-12-4-6-13(7-5-12)11-20(3)17(21)15-10-14(18)8-9-16(15)19-2/h4-10,19H,11H2,1-3H3
InChIKeyOUTDIALUKIGCRV-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.96
Rot. Bonds4

About 5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide

5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 62171405) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
PubChem CID62171405
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
SMILESCNc1ccc(Cl)cc1C(=O)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C17H19ClN2O/c1-12-4-6-13(7-5-12)11-20(3)17(21)15-10-14(18)8-9-16(15)19-2/h4-10,19H,11H2,1-3H3
InChIKeyOUTDIALUKIGCRV-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
5-chloro-2-hydrazinyl-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 62236200
N-[(4-chlorophenyl)methyl]-N,3-dimethyl-4-(methylamino)benzamide
CID 63213909
5-chloro-N-methyl-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167870
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
5-chloro-2-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]benzamide
CID 87542288
5-chloro-N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzamide
CID 63010043
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
N-[(4-tert-butylphenyl)methyl]-5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 68702574
5-chloro-N-methyl-2-(methylamino)-N-phenylbenzamide
CID 55042648
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
CID 106685341

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide (CID 62171405) is 5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide is CNc1ccc(Cl)cc1C(=O)N(C)Cc1ccc(C)cc1.
What is the InChIKey of 5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is OUTDIALUKIGCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-4-6-13(7-5-12)11-20(3)17(21)15-10-14(18)8-9-16(15)19-2/h4-10,19H,11H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide?
5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]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 5-chloro-N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 62171405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).