2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid

C13H15Cl2NO2 — CID 70874089

IUPAC2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(NCC2CCCC2)c1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-9-5-10(13(17)18)12(15)11(6-9)16-7-8-3-1-2-4-8/h5-6,8,16H,1-4,7H2,(H,17,18)
InChIKeyAEZBPRVNIISBAH-UHFFFAOYSA-N
MW288.17 g/mol
LogP4.29
Rot. Bonds4

About 2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid

2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid (PubChem CID 70874089) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid.

Molecular Properties

Compound Name2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid
PubChem CID70874089
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(NCC2CCCC2)c1Cl
InChIInChI=1S/C13H15Cl2NO2/c14-9-5-10(13(17)18)12(15)11(6-9)16-7-8-3-1-2-4-8/h5-6,8,16H,1-4,7H2,(H,17,18)
InChIKeyAEZBPRVNIISBAH-UHFFFAOYSA-N
XLogP4.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-6-(cyclohexylmethylamino)pyridazine-4-carboxylic acid
CID 117102894
4-chloro-2-(cyclohexylmethylamino)-N,N-dimethylbenzamide
CID 43737639
2-chloro-6-(cyclopentylmethylamino)benzoic acid
CID 62710285
2-(cyclobutylmethylamino)-5-methylbenzoic acid
CID 62514472
5-amino-2-(cyclobutylmethylamino)benzoic acid
CID 60989727
5-chloro-3-(cyclohexylmethylsulfonyl)-2-fluorobenzoic acid
CID 43323203
5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid
CID 43510568
methyl 5-chloro-2-methyl-3-(oxan-4-ylmethylamino)benzoate
CID 70873982
2,5-dichloro-3-(propanoylamino)benzoic acid
CID 118989424
4-chloro-3-(cyclohexylmethylamino)benzamide
CID 43679468
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
3,5-dichloro-N-(cyclohexylmethyl)aniline
CID 18778534

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid?
The IUPAC name of 2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid (CID 70874089) is 2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid.
What is the SMILES notation for 2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid?
The canonical SMILES for 2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid is O=C(O)c1cc(Cl)cc(NCC2CCCC2)c1Cl.
What is the InChIKey of 2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid?
The InChIKey is AEZBPRVNIISBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c14-9-5-10(13(17)18)12(15)11(6-9)16-7-8-3-1-2-4-8/h5-6,8,16H,1-4,7H2,(H,17,18).
What are the key properties of 2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid?
2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid has a molecular weight of 288.17 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(cyclopentylmethylamino)benzoic acid is sourced from PubChem (CID 70874089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).