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

C17H19ClN2O — CID 104547383

IUPACN-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12-7-8-16(15(18)11-12)20-17(21)14-6-4-3-5-13(14)9-10-19-2/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyGSOBPWTWXWRZLG-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.66
Rot. Bonds5

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

N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide (PubChem CID 104547383) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide
PubChem CID104547383
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)Nc1ccc(C)cc1Cl
InChIInChI=1S/C17H19ClN2O/c1-12-7-8-16(15(18)11-12)20-17(21)14-6-4-3-5-13(14)9-10-19-2/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyGSOBPWTWXWRZLG-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
N-(2-chloro-4-methylphenyl)-2-iodobenzamide
CID 8886012
N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104548150
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
2,3-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 7926718
N-(2-bromo-4-fluorophenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547382
2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613314
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
N-(2-chloro-4-methylphenyl)-2,3-difluorobenzamide
CID 62650999
(2,4-dimethylphenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613156
N-(2,5-dimethylphenyl)-2-(2-phenylethyl)benzamide
CID 19167579
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide (CID 104547383) is N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide is CNCCc1ccccc1C(=O)Nc1ccc(C)cc1Cl.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide?
The InChIKey is GSOBPWTWXWRZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-7-8-16(15(18)11-12)20-17(21)14-6-4-3-5-13(14)9-10-19-2/h3-8,11,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide?
N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide has a molecular weight of 302.81 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 104547383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).