2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid

C14H12BrNO3 — CID 54890261

IUPAC2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid
SMILESO=C(O)C(Nc1cccc(Br)c1)c1cccc(O)c1
InChIInChI=1S/C14H12BrNO3/c15-10-4-2-5-11(8-10)16-13(14(18)19)9-3-1-6-12(17)7-9/h1-8,13,16-17H,(H,18,19)
InChIKeyKENZIUPVNUDXIL-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.39
Rot. Bonds4

About 2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid

2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid (PubChem CID 54890261) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid
PubChem CID54890261
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid
SMILESO=C(O)C(Nc1cccc(Br)c1)c1cccc(O)c1
InChIInChI=1S/C14H12BrNO3/c15-10-4-2-5-11(8-10)16-13(14(18)19)9-3-1-6-12(17)7-9/h1-8,13,16-17H,(H,18,19)
InChIKeyKENZIUPVNUDXIL-UHFFFAOYSA-N
XLogP3.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-2-(3,4-dimethylphenyl)acetic acid
CID 60993854
2-(3-bromoanilino)-2-(4-bromo-3-fluorophenyl)acetic acid
CID 81437594
2-(3-bromoanilino)-2-pyridin-3-ylacetic acid
CID 54890309
2-(3-bromoanilino)-2-(2-methylphenyl)acetic acid
CID 54890917
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-(3-bromoanilino)-2-(2-chloro-6-fluorophenyl)acetic acid
CID 60993002
2-phenyl-2-(3-propan-2-ylanilino)acetic acid
CID 21063795
3-amino-2-(3-bromoanilino)-3-oxopropanoic acid
CID 67723108
2-(3-bromoanilino)-2-(2-ethoxyphenyl)acetic acid
CID 60992710
2-(4-bromoanilino)-2-(4-hydroxyphenyl)acetic acid
CID 54890913
2-(3-bromoanilino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79583511

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid (CID 54890261) is 2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid is O=C(O)C(Nc1cccc(Br)c1)c1cccc(O)c1.
What is the InChIKey of 2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid?
The InChIKey is KENZIUPVNUDXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c15-10-4-2-5-11(8-10)16-13(14(18)19)9-3-1-6-12(17)7-9/h1-8,13,16-17H,(H,18,19).
What are the key properties of 2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid?
2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid has a molecular weight of 322.16 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(3-hydroxyphenyl)acetic acid is sourced from PubChem (CID 54890261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).