2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid

C15H13Br2NO2 — CID 60993850

IUPAC2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
SMILESCC(Nc1cccc(Br)c1)(C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-15(14(19)20,10-4-2-5-11(16)8-10)18-13-7-3-6-12(17)9-13/h2-9,18H,1H3,(H,19,20)
InChIKeyAIUNIQSSONSPKK-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.62
Rot. Bonds4

About 2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid

2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid (PubChem CID 60993850) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
PubChem CID60993850
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
SMILESCC(Nc1cccc(Br)c1)(C(=O)O)c1cccc(Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-15(14(19)20,10-4-2-5-11(16)8-10)18-13-7-3-6-12(17)9-13/h2-9,18H,1H3,(H,19,20)
InChIKeyAIUNIQSSONSPKK-UHFFFAOYSA-N
XLogP4.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-2-(3-fluoro-5-methylanilino)propanoic acid
CID 79044474
2-(3-bromoanilino)-2-phenylpropanamide
CID 54891412
2-(3-bromoanilino)-2-(4-bromo-2-fluorophenyl)propanoic acid
CID 82955551
2-(3-bromophenyl)-2-(2-methylanilino)propanoic acid
CID 60992588
2-(3-bromophenyl)-2-(2-fluoroanilino)propanoic acid
CID 60994863
methyl 2-(3-bromoanilino)-2-(3-fluorophenyl)propanoate
CID 60993281
2-(3-bromoanilino)-2-(4-bromophenyl)propanamide
CID 60992244
2-(3,4-dimethylphenyl)-2-(3-methylanilino)propanoic acid
CID 60993781
2-anilino-2-(4-bromophenyl)propanoic acid
CID 60990809
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
2-(3-bromoanilino)-2-(4-methylphenyl)propanamide
CID 60991987
2-(3-bromophenyl)-2-(4-chloroanilino)propanamide
CID 60992656

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid?
The IUPAC name of 2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid (CID 60993850) is 2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid.
What is the SMILES notation for 2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid?
The canonical SMILES for 2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid is CC(Nc1cccc(Br)c1)(C(=O)O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid?
The InChIKey is AIUNIQSSONSPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-15(14(19)20,10-4-2-5-11(16)8-10)18-13-7-3-6-12(17)9-13/h2-9,18H,1H3,(H,19,20).
What are the key properties of 2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid?
2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid has a molecular weight of 399.08 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid is sourced from PubChem (CID 60993850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).