N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide

C17H19ClN2O — CID 62186612

IUPACN-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C17H19ClN2O/c1-3-11-19-16-9-5-4-7-13(16)17(21)20-15-10-6-8-14(18)12(15)2/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyZNWVHDFIFYSRHG-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.72
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide

N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide (PubChem CID 62186612) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide
PubChem CID62186612
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C17H19ClN2O/c1-3-11-19-16-9-5-4-7-13(16)17(21)20-15-10-6-8-14(18)12(15)2/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyZNWVHDFIFYSRHG-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 63107746
N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179356
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide
CID 81280415
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide
CID 104619421
N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide
CID 65489901
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103398
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7422717
N-(2-bromo-3-chlorophenyl)-3-(propylamino)pyridine-4-carboxamide
CID 103481422
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(propylamino)benzamide
CID 62167844

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide (CID 62186612) is N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide?
The InChIKey is ZNWVHDFIFYSRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-11-19-16-9-5-4-7-13(16)17(21)20-15-10-6-8-14(18)12(15)2/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide?
N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide has a molecular weight of 302.81 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide is sourced from PubChem (CID 62186612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).