N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide

C17H19ClN2O — CID 63107746

IUPACN-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C17H19ClN2O/c1-3-10-19-16-7-5-4-6-14(16)17(21)20-15-9-8-13(18)11-12(15)2/h4-9,11,19H,3,10H2,1-2H3,(H,20,21)
InChIKeyPEUQCNCOTYCPEV-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.72
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide

N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide (PubChem CID 63107746) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide
PubChem CID63107746
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C17H19ClN2O/c1-3-10-19-16-7-5-4-6-14(16)17(21)20-15-9-8-13(18)11-12(15)2/h4-9,11,19H,3,10H2,1-2H3,(H,20,21)
InChIKeyPEUQCNCOTYCPEV-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-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide
CID 81280415
N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 62186612
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
N-(3-methylphenyl)-2-(propylamino)benzamide
CID 62171242
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
CID 63499868
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
N-(2-chloro-4-methyl-3-pyridinyl)-2-(propylamino)benzamide
CID 65489901
2-(ethylamino)-N-(4-fluoro-2-methylphenyl)benzamide
CID 62165548
N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 75499293
N-(4-chlorophenyl)-5-methyl-2-(propylamino)benzamide
CID 63501109
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide (CID 63107746) is N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide?
The InChIKey is PEUQCNCOTYCPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-10-19-16-7-5-4-6-14(16)17(21)20-15-9-8-13(18)11-12(15)2/h4-9,11,19H,3,10H2,1-2H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide?
N-(4-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-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide is sourced from PubChem (CID 63107746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).