2-bromo-4-(1-phenylethylamino)benzoic acid

C15H14BrNO2 — CID 107281678

IUPAC2-bromo-4-(1-phenylethylamino)benzoic acid
SMILESCC(Nc1ccc(C(=O)O)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrNO2/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15(18)19)14(16)9-12/h2-10,17H,1H3,(H,18,19)
InChIKeyUVPPYWUKFRGKLH-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.32
Rot. Bonds4

About 2-bromo-4-(1-phenylethylamino)benzoic acid

2-bromo-4-(1-phenylethylamino)benzoic acid (PubChem CID 107281678) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-bromo-4-(1-phenylethylamino)benzoic acid.

Molecular Properties

Compound Name2-bromo-4-(1-phenylethylamino)benzoic acid
PubChem CID107281678
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-bromo-4-(1-phenylethylamino)benzoic acid
SMILESCC(Nc1ccc(C(=O)O)c(Br)c1)c1ccccc1
InChIInChI=1S/C15H14BrNO2/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15(18)19)14(16)9-12/h2-10,17H,1H3,(H,18,19)
InChIKeyUVPPYWUKFRGKLH-UHFFFAOYSA-N
XLogP4.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 107282164
2-bromo-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]benzoic acid
CID 107281803
2-bromo-4-(4-hydroxybutan-2-ylamino)benzoic acid
CID 107282258
2-chloro-4-[1-(4-methylphenyl)ethylamino]benzoic acid
CID 62945610
2-methyl-4-[1-(4-methylphenyl)ethylamino]benzoic acid
CID 81281867
2-bromo-4-(5-hydroxypentan-2-ylamino)benzoic acid
CID 107282200
2-bromo-4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 107282266
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
2-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 107281770
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
2-bromo-4-hydrazinylbenzoic acid
CID 119017518
3-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882994

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-phenylethylamino)benzoic acid?
The IUPAC name of 2-bromo-4-(1-phenylethylamino)benzoic acid (CID 107281678) is 2-bromo-4-(1-phenylethylamino)benzoic acid.
What is the SMILES notation for 2-bromo-4-(1-phenylethylamino)benzoic acid?
The canonical SMILES for 2-bromo-4-(1-phenylethylamino)benzoic acid is CC(Nc1ccc(C(=O)O)c(Br)c1)c1ccccc1.
What is the InChIKey of 2-bromo-4-(1-phenylethylamino)benzoic acid?
The InChIKey is UVPPYWUKFRGKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15(18)19)14(16)9-12/h2-10,17H,1H3,(H,18,19).
What are the key properties of 2-bromo-4-(1-phenylethylamino)benzoic acid?
2-bromo-4-(1-phenylethylamino)benzoic acid has a molecular weight of 320.19 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-phenylethylamino)benzoic acid is sourced from PubChem (CID 107281678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).