2-[2-(4-bromoanilino)phenyl]acetic acid

C14H12BrNO2 — CID 18546402

IUPAC2-[2-(4-bromoanilino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO2/c15-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyIYSFMHOVLVCPCZ-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.82
Rot. Bonds4

About 2-[2-(4-bromoanilino)phenyl]acetic acid

2-[2-(4-bromoanilino)phenyl]acetic acid (PubChem CID 18546402) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 2-[2-(4-bromoanilino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-bromoanilino)phenyl]acetic acid
PubChem CID18546402
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name2-[2-(4-bromoanilino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1Nc1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO2/c15-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKeyIYSFMHOVLVCPCZ-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-butylanilino)phenyl]acetic acid
CID 18546340
2-[2-(3,4,5-trichloroanilino)phenyl]acetic acid
CID 18546366
2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938
4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide
CID 70803763
2-[2-(2-nitroanilino)phenyl]acetic acid
CID 18546327
2-[2-(3-methoxyanilino)phenyl]acetic acid
CID 18546395
2-[2-[(2,4-dibromobenzoyl)amino]phenyl]acetic acid
CID 107937906
2-[2-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 62534197
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
2-[2-[(4-bromo-2-fluorobenzoyl)amino]phenyl]acetic acid
CID 62537050
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromoanilino)phenyl]acetic acid?
The IUPAC name of 2-[2-(4-bromoanilino)phenyl]acetic acid (CID 18546402) is 2-[2-(4-bromoanilino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(4-bromoanilino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(4-bromoanilino)phenyl]acetic acid is O=C(O)Cc1ccccc1Nc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromoanilino)phenyl]acetic acid?
The InChIKey is IYSFMHOVLVCPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-14(17)18/h1-8,16H,9H2,(H,17,18).
What are the key properties of 2-[2-(4-bromoanilino)phenyl]acetic acid?
2-[2-(4-bromoanilino)phenyl]acetic acid has a molecular weight of 306.16 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromoanilino)phenyl]acetic acid is sourced from PubChem (CID 18546402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).