5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid

C14H18ClNO3 — CID 114178785

IUPAC5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NC1CCCCC1CO
InChIInChI=1S/C14H18ClNO3/c15-10-5-6-13(11(7-10)14(18)19)16-12-4-2-1-3-9(12)8-17/h5-7,9,12,16-17H,1-4,8H2,(H,18,19)
InChIKeyFFYHTBXGAAZPDG-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.00
Rot. Bonds4

About 5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid

5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid (PubChem CID 114178785) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid
PubChem CID114178785
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NC1CCCCC1CO
InChIInChI=1S/C14H18ClNO3/c15-10-5-6-13(11(7-10)14(18)19)16-12-4-2-1-3-9(12)8-17/h5-7,9,12,16-17H,1-4,8H2,(H,18,19)
InChIKeyFFYHTBXGAAZPDG-UHFFFAOYSA-N
XLogP3.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]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

3-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364831
2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide
CID 102738776
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid
CID 106361825
5-chloro-2-[(2,3-dimethylcyclopentyl)amino]benzoic acid
CID 64921035
2-chloro-6-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364838
3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid
CID 114179237
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-nitrobenzoic acid
CID 106361797
[2-(4-amino-2-chloroanilino)cyclopentyl]methanol
CID 106359015
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
2,4-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55256942
4-[[2-(hydroxymethyl)cyclohexyl]amino]-2-nitrobenzoic acid
CID 106361835

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid (CID 114178785) is 5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid is O=C(O)c1cc(Cl)ccc1NC1CCCCC1CO.
What is the InChIKey of 5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid?
The InChIKey is FFYHTBXGAAZPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-10-5-6-13(11(7-10)14(18)19)16-12-4-2-1-3-9(12)8-17/h5-7,9,12,16-17H,1-4,8H2,(H,18,19).
What are the key properties of 5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid?
5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid has a molecular weight of 283.75 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(hydroxymethyl)cyclohexyl]amino]benzoic acid is sourced from PubChem (CID 114178785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).