3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid

C14H12ClNO3 — CID 53227480

IUPAC3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid
SMILESCOc1ccc(Cl)c(-c2cc(N)cc(C(=O)O)c2)c1
InChIInChI=1S/C14H12ClNO3/c1-19-11-2-3-13(15)12(7-11)8-4-9(14(17)18)6-10(16)5-8/h2-7H,16H2,1H3,(H,17,18)
InChIKeyFRFAJRYALWYVSP-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.30
Rot. Bonds3

About 3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid

3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid (PubChem CID 53227480) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid
PubChem CID53227480
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid
SMILESCOc1ccc(Cl)c(-c2cc(N)cc(C(=O)O)c2)c1
InChIInChI=1S/C14H12ClNO3/c1-19-11-2-3-13(15)12(7-11)8-4-9(14(17)18)6-10(16)5-8/h2-7H,16H2,1H3,(H,17,18)
InChIKeyFRFAJRYALWYVSP-UHFFFAOYSA-N
XLogP3.30
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-(2,5-dimethoxyphenyl)benzoic acid
CID 53227230
4-(2-chloro-5-methoxyphenyl)benzoic acid
CID 53218398
3-amino-5-(2,3-dichlorophenyl)benzoic acid
CID 53227648
3-amino-5-(2-methoxy-5-methylphenyl)benzoic acid
CID 53226231
3-(2,4-dichlorophenyl)-5-methoxybenzoic acid
CID 53227681
3-fluoro-5-(2-fluoro-5-methoxyphenyl)benzoic acid
CID 53226516
2-[4-(2-chloro-5-methoxyphenyl)phenyl]acetic acid
CID 54758883
5-(3-carboxy-5-methoxyphenyl)-2-chlorobenzoic acid
CID 53228184
3-(3-aminophenyl)-5-methoxybenzoic acid
CID 53224920
3-(2-chloro-4-ethoxyphenyl)-5-methoxybenzoic acid
CID 53228156
2-(2-chloro-5-methoxyphenyl)-5-fluorobenzoic acid
CID 53227485
4-(2-chloro-5-methoxyphenyl)pyridine
CID 46316938

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid?
The IUPAC name of 3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid (CID 53227480) is 3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid.
What is the SMILES notation for 3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid?
The canonical SMILES for 3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid is COc1ccc(Cl)c(-c2cc(N)cc(C(=O)O)c2)c1.
What is the InChIKey of 3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid?
The InChIKey is FRFAJRYALWYVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-19-11-2-3-13(15)12(7-11)8-4-9(14(17)18)6-10(16)5-8/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid?
3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid has a molecular weight of 277.71 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-chloro-5-methoxyphenyl)benzoic acid is sourced from PubChem (CID 53227480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).