4-[1-(3-chlorophenyl)propylamino]benzoic acid

C16H16ClNO2 — CID 43321653

IUPAC4-[1-(3-chlorophenyl)propylamino]benzoic acid
SMILESCCC(Nc1ccc(C(=O)O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-2-15(12-4-3-5-13(17)10-12)18-14-8-6-11(7-9-14)16(19)20/h3-10,15,18H,2H2,1H3,(H,19,20)
InChIKeyVZLGTICRFAGYBL-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.60
Rot. Bonds5

About 4-[1-(3-chlorophenyl)propylamino]benzoic acid

4-[1-(3-chlorophenyl)propylamino]benzoic acid (PubChem CID 43321653) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-[1-(3-chlorophenyl)propylamino]benzoic acid.

Molecular Properties

Compound Name4-[1-(3-chlorophenyl)propylamino]benzoic acid
PubChem CID43321653
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-[1-(3-chlorophenyl)propylamino]benzoic acid
SMILESCCC(Nc1ccc(C(=O)O)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-2-15(12-4-3-5-13(17)10-12)18-14-8-6-11(7-9-14)16(19)20/h3-10,15,18H,2H2,1H3,(H,19,20)
InChIKeyVZLGTICRFAGYBL-UHFFFAOYSA-N
XLogP4.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43192997
4-[1-(3-chlorophenyl)propylamino]-3-methylbenzoic acid
CID 43736124
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
2-chloro-4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43736518
4-[1-(4-bromophenyl)propylamino]benzoic acid
CID 43321634
1-[4-(1-phenylpropylamino)phenyl]ethanone
CID 114468209
4-[1-(3-chlorophenyl)propylamino]-3-methylbenzamide
CID 43706964
5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol
CID 43743809
5-[[1-(3-chlorophenyl)propylamino]methyl]furan-3-carboxylic acid
CID 104608253
N-[3-[1-(3-chlorophenyl)propylamino]phenyl]cyclopropanecarboxamide
CID 112815872
4-[2-(3-chlorophenoxy)butanoylamino]benzoic acid
CID 43886456
4-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43321630

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenyl)propylamino]benzoic acid?
The IUPAC name of 4-[1-(3-chlorophenyl)propylamino]benzoic acid (CID 43321653) is 4-[1-(3-chlorophenyl)propylamino]benzoic acid.
What is the SMILES notation for 4-[1-(3-chlorophenyl)propylamino]benzoic acid?
The canonical SMILES for 4-[1-(3-chlorophenyl)propylamino]benzoic acid is CCC(Nc1ccc(C(=O)O)cc1)c1cccc(Cl)c1.
What is the InChIKey of 4-[1-(3-chlorophenyl)propylamino]benzoic acid?
The InChIKey is VZLGTICRFAGYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-15(12-4-3-5-13(17)10-12)18-14-8-6-11(7-9-14)16(19)20/h3-10,15,18H,2H2,1H3,(H,19,20).
What are the key properties of 4-[1-(3-chlorophenyl)propylamino]benzoic acid?
4-[1-(3-chlorophenyl)propylamino]benzoic acid has a molecular weight of 289.76 g/mol, XLogP of 4.60, 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]benzoic acid is sourced from PubChem (CID 43321653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).