2-chloro-5-(cyclohexylamino)benzoic acid

C13H16ClNO2 — CID 43736277

IUPAC2-chloro-5-(cyclohexylamino)benzoic acid
SMILESO=C(O)c1cc(NC2CCCCC2)ccc1Cl
InChIInChI=1S/C13H16ClNO2/c14-12-7-6-10(8-11(12)13(16)17)15-9-4-2-1-3-5-9/h6-9,15H,1-5H2,(H,16,17)
InChIKeyHBQXLOVQQVAXDY-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.78
Rot. Bonds3

About 2-chloro-5-(cyclohexylamino)benzoic acid

2-chloro-5-(cyclohexylamino)benzoic acid (PubChem CID 43736277) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-5-(cyclohexylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(cyclohexylamino)benzoic acid
PubChem CID43736277
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-chloro-5-(cyclohexylamino)benzoic acid
SMILESO=C(O)c1cc(NC2CCCCC2)ccc1Cl
InChIInChI=1S/C13H16ClNO2/c14-12-7-6-10(8-11(12)13(16)17)15-9-4-2-1-3-5-9/h6-9,15H,1-5H2,(H,16,17)
InChIKeyHBQXLOVQQVAXDY-UHFFFAOYSA-N
XLogP3.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-(cyclooctylamino)benzoic acid
CID 60989029
2-chloro-5-(spiro[4.5]decan-8-ylamino)benzoic acid
CID 114817395
5-(cyclohexylamino)-2-methylbenzoic acid
CID 82932718
methyl 2-chloro-5-(cyclopentylamino)benzoate
CID 43672677
2-chloro-5-[(1-ethylpiperidin-4-yl)amino]benzoic acid
CID 43736226
2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid
CID 103561486
2-chloro-5-(thiolan-3-ylamino)benzoic acid
CID 43736227
2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzoic acid
CID 43736297
2-chloro-5-(cycloheptanecarbonylamino)benzoic acid
CID 62587194
2-chloro-5-(cyclooctanecarbonylamino)benzoic acid
CID 65019289
4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid
CID 62711963
2-chloro-5-[[2-(cyclopentylamino)acetyl]amino]benzoic acid
CID 60851750

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(cyclohexylamino)benzoic acid?
The IUPAC name of 2-chloro-5-(cyclohexylamino)benzoic acid (CID 43736277) is 2-chloro-5-(cyclohexylamino)benzoic acid.
What is the SMILES notation for 2-chloro-5-(cyclohexylamino)benzoic acid?
The canonical SMILES for 2-chloro-5-(cyclohexylamino)benzoic acid is O=C(O)c1cc(NC2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(cyclohexylamino)benzoic acid?
The InChIKey is HBQXLOVQQVAXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-12-7-6-10(8-11(12)13(16)17)15-9-4-2-1-3-5-9/h6-9,15H,1-5H2,(H,16,17).
What are the key properties of 2-chloro-5-(cyclohexylamino)benzoic acid?
2-chloro-5-(cyclohexylamino)benzoic acid has a molecular weight of 253.73 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(cyclohexylamino)benzoic acid is sourced from PubChem (CID 43736277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).