2-anilino-2-(4-bromophenyl)propanoic acid

C15H14BrNO2 — CID 60990809

IUPAC2-anilino-2-(4-bromophenyl)propanoic acid
SMILESCC(Nc1ccccc1)(C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO2/c1-15(14(18)19,11-7-9-12(16)10-8-11)17-13-5-3-2-4-6-13/h2-10,17H,1H3,(H,18,19)
InChIKeyUFPAZWXSTSAQIQ-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.86
Rot. Bonds4

About 2-anilino-2-(4-bromophenyl)propanoic acid

2-anilino-2-(4-bromophenyl)propanoic acid (PubChem CID 60990809) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-anilino-2-(4-bromophenyl)propanoic acid.

Molecular Properties

Compound Name2-anilino-2-(4-bromophenyl)propanoic acid
PubChem CID60990809
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-anilino-2-(4-bromophenyl)propanoic acid
SMILESCC(Nc1ccccc1)(C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO2/c1-15(14(18)19,11-7-9-12(16)10-8-11)17-13-5-3-2-4-6-13/h2-10,17H,1H3,(H,18,19)
InChIKeyUFPAZWXSTSAQIQ-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
2-(4-bromoanilino)-2-pyridin-3-ylpropanoic acid
CID 60993841
2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
CID 60993850
2-(3-bromoanilino)-2-(4-bromophenyl)propanamide
CID 60992244
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
CID 60991913
2-anilino-2-(3-fluorophenyl)propanoic acid
CID 60991500
(2R)-2-[(4-bromophenyl)methylamino]-2-phenylpropanoic acid
CID 11727351
methyl 2-(4-bromophenyl)-2-(3-methylanilino)propanoate
CID 60994076
2-(4-bromoanilino)-2-(4-chlorophenyl)propanamide
CID 60991718
2-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 60994028
2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid
CID 60991842
methyl 2-anilino-2-(4-hydroxyphenyl)propanoate
CID 60991506

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(4-bromophenyl)propanoic acid?
The IUPAC name of 2-anilino-2-(4-bromophenyl)propanoic acid (CID 60990809) is 2-anilino-2-(4-bromophenyl)propanoic acid.
What is the SMILES notation for 2-anilino-2-(4-bromophenyl)propanoic acid?
The canonical SMILES for 2-anilino-2-(4-bromophenyl)propanoic acid is CC(Nc1ccccc1)(C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of 2-anilino-2-(4-bromophenyl)propanoic acid?
The InChIKey is UFPAZWXSTSAQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-15(14(18)19,11-7-9-12(16)10-8-11)17-13-5-3-2-4-6-13/h2-10,17H,1H3,(H,18,19).
What are the key properties of 2-anilino-2-(4-bromophenyl)propanoic acid?
2-anilino-2-(4-bromophenyl)propanoic acid has a molecular weight of 320.19 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(4-bromophenyl)propanoic acid is sourced from PubChem (CID 60990809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).