2-[(2-bromophenyl)methylamino]benzoic acid

C14H12BrNO2 — CID 43139537

IUPAC2-[(2-bromophenyl)methylamino]benzoic acid
SMILESO=C(O)c1ccccc1NCc1ccccc1Br
InChIInChI=1S/C14H12BrNO2/c15-12-7-3-1-5-10(12)9-16-13-8-4-2-6-11(13)14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyWMLHGSYBUFXEDI-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.76
Rot. Bonds4

About 2-[(2-bromophenyl)methylamino]benzoic acid

2-[(2-bromophenyl)methylamino]benzoic acid (PubChem CID 43139537) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylamino]benzoic acid
PubChem CID43139537
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name2-[(2-bromophenyl)methylamino]benzoic acid
SMILESO=C(O)c1ccccc1NCc1ccccc1Br
InChIInChI=1S/C14H12BrNO2/c15-12-7-3-1-5-10(12)9-16-13-8-4-2-6-11(13)14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyWMLHGSYBUFXEDI-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-chlorophenyl)methylamino]benzoic acid
CID 66159480
2-[(2-cyanophenyl)methylamino]benzoic acid
CID 107935866
2-amino-5-[(2-bromophenyl)methylamino]benzoic acid
CID 61413975
2-[(3-chloro-2-hydroxyphenyl)methylamino]benzoic acid
CID 112606376
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]benzoic acid
CID 43774575
2-[(4-bromo-2,5-difluoroanilino)methyl]benzoic acid
CID 107613444
ethyl 2-amino-3-[(2-bromophenyl)methylamino]benzoate
CID 115545042
2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
CID 81313237
2-[(2-propylanilino)methyl]benzoic acid
CID 103246196
2-[[5-(carboxymethyl)thiophen-2-yl]methylamino]benzoic acid
CID 82894049
2-[(3-bromo-4-methoxyphenyl)methylamino]benzoic acid
CID 43774574
2-[(4-bromo-5-fluoro-2-methylanilino)methyl]benzoic acid
CID 103267517

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylamino]benzoic acid?
The IUPAC name of 2-[(2-bromophenyl)methylamino]benzoic acid (CID 43139537) is 2-[(2-bromophenyl)methylamino]benzoic acid.
What is the SMILES notation for 2-[(2-bromophenyl)methylamino]benzoic acid?
The canonical SMILES for 2-[(2-bromophenyl)methylamino]benzoic acid is O=C(O)c1ccccc1NCc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methylamino]benzoic acid?
The InChIKey is WMLHGSYBUFXEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-12-7-3-1-5-10(12)9-16-13-8-4-2-6-11(13)14(17)18/h1-8,16H,9H2,(H,17,18).
What are the key properties of 2-[(2-bromophenyl)methylamino]benzoic acid?
2-[(2-bromophenyl)methylamino]benzoic acid has a molecular weight of 306.16 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylamino]benzoic acid is sourced from PubChem (CID 43139537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).