4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide

C17H19ClN2O — CID 43706964

IUPAC4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide
SMILESCCC(Nc1ccc(C(N)=O)cc1C)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-3-15(12-5-4-6-14(18)10-12)20-16-8-7-13(17(19)21)9-11(16)2/h4-10,15,20H,3H2,1-2H3,(H2,19,21)
InChIKeyCOJIDDFKTPECLY-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.31
Rot. Bonds5

About 4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide

4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide (PubChem CID 43706964) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide
PubChem CID43706964
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide
SMILESCCC(Nc1ccc(C(N)=O)cc1C)c1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-3-15(12-5-4-6-14(18)10-12)20-16-8-7-13(17(19)21)9-11(16)2/h4-10,15,20H,3H2,1-2H3,(H2,19,21)
InChIKeyCOJIDDFKTPECLY-UHFFFAOYSA-N
XLogP4.31
TPSA55.12 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 ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-chlorophenyl)propylamino]-3-methylbenzoic acid
CID 43736124
4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43192997
N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline
CID 43108475
3-methyl-4-(1-thiophen-2-ylpropylamino)benzamide
CID 43706677
N-[1-(3-chlorophenyl)propyl]-2,3-dimethylaniline
CID 43097470
4-[1-(3-chlorophenyl)propylamino]benzoic acid
CID 43321653
2-chloro-4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43736518
2-bromo-N-[1-(3-chlorophenyl)propyl]-4-methylaniline
CID 43107792
2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide
CID 61210694
4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide
CID 63356730
N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline
CID 63452522
3-methyl-4-(4-methylpentan-2-ylamino)benzamide
CID 43706917

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide?
The IUPAC name of 4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide (CID 43706964) is 4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide.
What is the SMILES notation for 4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide?
The canonical SMILES for 4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide is CCC(Nc1ccc(C(N)=O)cc1C)c1cccc(Cl)c1.
What is the InChIKey of 4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide?
The InChIKey is COJIDDFKTPECLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-15(12-5-4-6-14(18)10-12)20-16-8-7-13(17(19)21)9-11(16)2/h4-10,15,20H,3H2,1-2H3,(H2,19,21).
What are the key properties of 4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide?
4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide has a molecular weight of 302.81 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide is sourced from PubChem (CID 43706964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).