3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid

C14H11BrClNO2 — CID 102822404

IUPAC3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid
SMILESO=C(O)c1cc(Br)cc(NCc2ccccc2Cl)c1
InChIInChI=1S/C14H11BrClNO2/c15-11-5-10(14(18)19)6-12(7-11)17-8-9-3-1-2-4-13(9)16/h1-7,17H,8H2,(H,18,19)
InChIKeyMZLVEQGDBDYZQP-UHFFFAOYSA-N
MW340.60 g/mol
LogP4.41
Rot. Bonds4

About 3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid

3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid (PubChem CID 102822404) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid
PubChem CID102822404
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid
SMILESO=C(O)c1cc(Br)cc(NCc2ccccc2Cl)c1
InChIInChI=1S/C14H11BrClNO2/c15-11-5-10(14(18)19)6-12(7-11)17-8-9-3-1-2-4-13(9)16/h1-7,17H,8H2,(H,18,19)
InChIKeyMZLVEQGDBDYZQP-UHFFFAOYSA-N
XLogP4.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-[(2-chlorophenyl)methylamino]benzoic acid
CID 54887803
2-[(3-bromo-5-methylanilino)methyl]benzoic acid
CID 107584215
3-[(2-chlorophenyl)methylcarbamoylamino]benzoic acid
CID 61192540
1-[4-[(2-chlorophenyl)methylamino]phenyl]ethanone
CID 82095831
3-bromo-N-[(2-ethylphenyl)methyl]-5-methylaniline
CID 107582552
3-bromo-5-(3,3-dimethylbutylamino)benzoic acid
CID 102823430
3-bromo-4-[(4-bromo-2,6-dichloroanilino)methyl]benzoic acid
CID 103236930
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-phenylacetamide
CID 112982542
3-[(2-chlorophenyl)methylamino]-5-propan-2-yloxybenzamide
CID 71048980
3-bromo-5-(pentylamino)benzoic acid
CID 102822403
3-bromo-N-[(2-chlorophenyl)methylcarbamothioyl]benzamide
CID 54791604
2-[2-[(3-bromo-5-methoxyanilino)methyl]phenyl]acetic acid
CID 82861170

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid?
The IUPAC name of 3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid (CID 102822404) is 3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid.
What is the SMILES notation for 3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid?
The canonical SMILES for 3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid is O=C(O)c1cc(Br)cc(NCc2ccccc2Cl)c1.
What is the InChIKey of 3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid?
The InChIKey is MZLVEQGDBDYZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c15-11-5-10(14(18)19)6-12(7-11)17-8-9-3-1-2-4-13(9)16/h1-7,17H,8H2,(H,18,19).
What are the key properties of 3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid?
3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid has a molecular weight of 340.60 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(2-chlorophenyl)methylamino]benzoic acid is sourced from PubChem (CID 102822404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).