4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid

C15H20ClNO2 — CID 89052632

IUPAC4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)c(C)c(NC2CCCCC2)c1Cl
InChIInChI=1S/C15H20ClNO2/c1-9-8-12(15(18)19)10(2)14(13(9)16)17-11-6-4-3-5-7-11/h8,11,17H,3-7H2,1-2H3,(H,18,19)
InChIKeyPSPMJZUUUXBAAX-UHFFFAOYSA-N
MW281.78 g/mol
LogP4.40
Rot. Bonds3

About 4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid

4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid (PubChem CID 89052632) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid.

Molecular Properties

Compound Name4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid
PubChem CID89052632
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid
SMILESCc1cc(C(=O)O)c(C)c(NC2CCCCC2)c1Cl
InChIInChI=1S/C15H20ClNO2/c1-9-8-12(15(18)19)10(2)14(13(9)16)17-11-6-4-3-5-7-11/h8,11,17H,3-7H2,1-2H3,(H,18,19)
InChIKeyPSPMJZUUUXBAAX-UHFFFAOYSA-N
XLogP4.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107111851
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CID 82932718
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
2-(cyclooctylamino)-4-methylbenzoic acid
CID 63512183
5-[2-(cyclohexylamino)phenyl]-2-methylbenzene-1,3-dicarboxylic acid
CID 150554381
2-(cyclopentylamino)-4-methylbenzoic acid
CID 62710261
N-(2,4,6-trimethylphenyl)cycloheptanamine
CID 63448201
3,4-dihydroxy-2,5-dimethylbenzoic acid
CID 18992107
2-(cyclohexylamino)-3-fluoro-5-methylbenzoic acid;ethane;methanol;2-methylbutane
CID 145492320
4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43737654
3-(cyclopropylamino)-2-methyl-4-methylsulfonylbenzoic acid
CID 57424945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid?
The IUPAC name of 4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid (CID 89052632) is 4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid.
What is the SMILES notation for 4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid?
The canonical SMILES for 4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid is Cc1cc(C(=O)O)c(C)c(NC2CCCCC2)c1Cl.
What is the InChIKey of 4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid?
The InChIKey is PSPMJZUUUXBAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-9-8-12(15(18)19)10(2)14(13(9)16)17-11-6-4-3-5-7-11/h8,11,17H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid?
4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid has a molecular weight of 281.78 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(cyclohexylamino)-2,5-dimethylbenzoic acid is sourced from PubChem (CID 89052632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).