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

C16H17ClN2O — CID 43192997

IUPAC4-[1-(3-chlorophenyl)propylamino]benzamide
SMILESCCC(Nc1ccc(C(N)=O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-2-15(12-4-3-5-13(17)10-12)19-14-8-6-11(7-9-14)16(18)20/h3-10,15,19H,2H2,1H3,(H2,18,20)
InChIKeyGIXCESROFGBJMC-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.00
Rot. Bonds5

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

4-[1-(3-chlorophenyl)propylamino]benzamide (PubChem CID 43192997) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-[1-(3-chlorophenyl)propylamino]benzamide.

Molecular Properties

Compound Name4-[1-(3-chlorophenyl)propylamino]benzamide
PubChem CID43192997
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-[1-(3-chlorophenyl)propylamino]benzamide
SMILESCCC(Nc1ccc(C(N)=O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-2-15(12-4-3-5-13(17)10-12)19-14-8-6-11(7-9-14)16(18)20/h3-10,15,19H,2H2,1H3,(H2,18,20)
InChIKeyGIXCESROFGBJMC-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-chlorophenyl)propylamino]benzoic acid
CID 43321653
2-chloro-4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43736518
4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide
CID 43706964
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide
CID 112815872
4-[1-(3-chlorophenyl)propylamino]-3-methylbenzoic acid
CID 43736124
2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide
CID 61210694
N-[1-(3-bromophenyl)propyl]-3-chloroaniline
CID 43762074
4-[1-(2-hydroxyphenyl)propylamino]benzamide
CID 43193016
N-[1-(3-chlorophenyl)propyl]-3-ethynylaniline
CID 43102881
5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol
CID 43743809
2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide
CID 114871265

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenyl)propylamino]benzamide?
The IUPAC name of 4-[1-(3-chlorophenyl)propylamino]benzamide (CID 43192997) is 4-[1-(3-chlorophenyl)propylamino]benzamide.
What is the SMILES notation for 4-[1-(3-chlorophenyl)propylamino]benzamide?
The canonical SMILES for 4-[1-(3-chlorophenyl)propylamino]benzamide is CCC(Nc1ccc(C(N)=O)cc1)c1cccc(Cl)c1.
What is the InChIKey of 4-[1-(3-chlorophenyl)propylamino]benzamide?
The InChIKey is GIXCESROFGBJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-2-15(12-4-3-5-13(17)10-12)19-14-8-6-11(7-9-14)16(18)20/h3-10,15,19H,2H2,1H3,(H2,18,20).
What are the key properties of 4-[1-(3-chlorophenyl)propylamino]benzamide?
4-[1-(3-chlorophenyl)propylamino]benzamide has a molecular weight of 288.78 g/mol, XLogP of 4.00, 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]benzamide is sourced from PubChem (CID 43192997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).