(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid

C15H11Br2NO3 — CID 107971317

IUPAC(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H11Br2NO3/c16-11-6-10(7-12(17)8-11)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)/t13-/m1/s1
InChIKeyDXNJISNXKXYBKF-CYBMUJFWSA-N
MW413.07 g/mol
LogP3.77
Rot. Bonds4

About (2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid

(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid (PubChem CID 107971317) has the molecular formula C15H11Br2NO3 and a molecular weight of 413.07 g/mol. Its IUPAC name is (2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
PubChem CID107971317
Molecular FormulaC15H11Br2NO3
Molecular Weight413.07 g/mol
Exact Mass410.91
IUPAC Name(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H11Br2NO3/c16-11-6-10(7-12(17)8-11)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)/t13-/m1/s1
InChIKeyDXNJISNXKXYBKF-CYBMUJFWSA-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

(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid
CID 107938356
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107971632
2-[(3-bromo-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 103790488
2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107938463
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide
CID 107938931
3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110626082
(2S)-2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetic acid;ethane
CID 144760970
methyl (2R)-2-[(3-bromobenzoyl)amino]-2-phenylacetate
CID 40541065
3-bromo-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 94157840
N-[(1S)-2-(4-bromophenyl)-2-oxo-1-phenylethyl]benzamide
CID 6991228
(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid
CID 30049473

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid (CID 107971317) is (2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1)c1cc(Br)cc(Br)c1.
What is the InChIKey of (2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid?
The InChIKey is DXNJISNXKXYBKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H11Br2NO3/c16-11-6-10(7-12(17)8-11)14(19)18-13(15(20)21)9-4-2-1-3-5-9/h1-8,13H,(H,18,19)(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid?
(2R)-2-[(3,5-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 (2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 107971317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).