2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid

C15H11Br2NO3 — CID 107938463

IUPAC2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H11Br2NO3/c16-10-6-7-11(12(17)8-10)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)
InChIKeyJVKYINFAUDXKGZ-UHFFFAOYSA-N
MW413.07 g/mol
LogP3.77
Rot. Bonds4

About 2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid

2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid (PubChem CID 107938463) has the molecular formula C15H11Br2NO3 and a molecular weight of 413.07 g/mol. Its IUPAC name is 2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid
PubChem CID107938463
Molecular FormulaC15H11Br2NO3
Molecular Weight413.07 g/mol
Exact Mass410.91
IUPAC Name2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1)c1ccc(Br)cc1Br
InChIInChI=1S/C15H11Br2NO3/c16-10-6-7-11(12(17)8-10)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)
InChIKeyJVKYINFAUDXKGZ-UHFFFAOYSA-N
XLogP3.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dibromobenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 107938256
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481
(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid
CID 107938356
2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid
CID 16771570
(2R)-2-[(4,5-dibromothiophene-2-carbonyl)amino]-2-phenylacetic acid
CID 61144895
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 103804582
2,4-dibromo-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 103882711
3-[(2,4-dibromobenzoyl)amino]butanoic acid
CID 107937736
2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 16771714

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid (CID 107938463) is 2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid is O=C(NC(C(=O)O)c1ccccc1)c1ccc(Br)cc1Br.
What is the InChIKey of 2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid?
The InChIKey is JVKYINFAUDXKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO3/c16-10-6-7-11(12(17)8-10)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21).
What are the key properties of 2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid?
2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid has a molecular weight of 413.07 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 107938463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).