4-chloro-2-(dipropylamino)benzoic acid

C13H18ClNO2 — CID 63515020

IUPAC4-chloro-2-(dipropylamino)benzoic acid
SMILESCCCN(CCC)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H18ClNO2/c1-3-7-15(8-4-2)12-9-10(14)5-6-11(12)13(16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyCMJDPRAISKEMPG-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.66
Rot. Bonds6

About 4-chloro-2-(dipropylamino)benzoic acid

4-chloro-2-(dipropylamino)benzoic acid (PubChem CID 63515020) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 4-chloro-2-(dipropylamino)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(dipropylamino)benzoic acid
PubChem CID63515020
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name4-chloro-2-(dipropylamino)benzoic acid
SMILESCCCN(CCC)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H18ClNO2/c1-3-7-15(8-4-2)12-9-10(14)5-6-11(12)13(16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyCMJDPRAISKEMPG-UHFFFAOYSA-N
XLogP3.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-(dipropylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[bis(3-methylbutyl)amino]-4-chlorobenzoic acid
CID 107870293
4-chloro-2-[methyl(pentyl)amino]benzoic acid
CID 63513449
4-chloro-2-[2-cyanoethyl(ethyl)amino]benzoic acid
CID 114845031
4-chloro-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]benzoic acid
CID 114845016
4-chloro-2-[cyclobutylmethyl(ethyl)amino]benzoic acid
CID 107399503
4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 63081667
3-(2,5-dichloro-N-propylanilino)-2-methylpropanoic acid
CID 82317877
4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
CID 63209038
2-[cyclopropylmethyl(propyl)amino]-4-methylbenzoic acid
CID 62701337
4-chloro-2-[cyclopropyl(methyl)amino]benzoic acid
CID 63081321
2-bromo-4-(dipropylamino)-3-fluorobenzoic acid
CID 107540106
4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
CID 81233201

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(dipropylamino)benzoic acid?
The IUPAC name of 4-chloro-2-(dipropylamino)benzoic acid (CID 63515020) is 4-chloro-2-(dipropylamino)benzoic acid.
What is the SMILES notation for 4-chloro-2-(dipropylamino)benzoic acid?
The canonical SMILES for 4-chloro-2-(dipropylamino)benzoic acid is CCCN(CCC)c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-(dipropylamino)benzoic acid?
The InChIKey is CMJDPRAISKEMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-7-15(8-4-2)12-9-10(14)5-6-11(12)13(16)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-2-(dipropylamino)benzoic acid?
4-chloro-2-(dipropylamino)benzoic acid has a molecular weight of 255.74 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(dipropylamino)benzoic acid is sourced from PubChem (CID 63515020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).