2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid

C15H13BrN2O3 — CID 61189471

IUPAC2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid
SMILESO=C(Nc1ccc(Br)cc1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H13BrN2O3/c16-11-6-8-12(9-7-11)17-15(21)18-13(14(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,19,20)(H2,17,18,21)
InChIKeyMUTURHQUUWAQAJ-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.40
Rot. Bonds4

About 2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid

2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid (PubChem CID 61189471) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is 2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid
PubChem CID61189471
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid
SMILESO=C(Nc1ccc(Br)cc1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H13BrN2O3/c16-11-6-8-12(9-7-11)17-15(21)18-13(14(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,19,20)(H2,17,18,21)
InChIKeyMUTURHQUUWAQAJ-UHFFFAOYSA-N
XLogP3.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
(2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-2-phenylacetamide
CID 71455830
2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid
CID 61186265
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
CID 104897065
1-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-3-phenylurea
CID 60603723
(2S)-2-[(4-bromophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825877
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
(2S)-3-[(4-bromophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107838136
2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107938463

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid (CID 61189471) is 2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid is O=C(Nc1ccc(Br)cc1)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid?
The InChIKey is MUTURHQUUWAQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-11-6-8-12(9-7-11)17-15(21)18-13(14(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid?
2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid has a molecular weight of 349.18 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid is sourced from PubChem (CID 61189471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).