2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid

C15H13IN2O3 — CID 61186265

IUPAC2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid
SMILESO=C(Nc1cccc(I)c1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H13IN2O3/c16-11-7-4-8-12(9-11)17-15(21)18-13(14(19)20)10-5-2-1-3-6-10/h1-9,13H,(H,19,20)(H2,17,18,21)
InChIKeyDFCWXMULEMDEHV-UHFFFAOYSA-N
MW396.18 g/mol
LogP3.24
Rot. Bonds4

About 2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid

2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid (PubChem CID 61186265) has the molecular formula C15H13IN2O3 and a molecular weight of 396.18 g/mol. Its IUPAC name is 2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid
PubChem CID61186265
Molecular FormulaC15H13IN2O3
Molecular Weight396.18 g/mol
Exact Mass396.00
IUPAC Name2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid
SMILESO=C(Nc1cccc(I)c1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H13IN2O3/c16-11-7-4-8-12(9-11)17-15(21)18-13(14(19)20)10-5-2-1-3-6-10/h1-9,13H,(H,19,20)(H2,17,18,21)
InChIKeyDFCWXMULEMDEHV-UHFFFAOYSA-N
XLogP3.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.18
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)carbamoylamino]-2-phenylacetic acid
CID 61189471
N-(3-iodophenyl)-3,3-diphenylpropanamide
CID 1297500
2-[(3-methylphenyl)carbamoylamino]-2-phenylacetamide
CID 17438270
3-[(3-iodophenyl)carbamoylamino]benzoic acid
CID 61193019
3-(3-iodoanilino)-2-methyl-3-oxopropanoic acid
CID 114897091
3-(3-iodoanilino)-2-phenylpropanoic acid
CID 64565441
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003
(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
CID 104897065
2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid
CID 107731230
2-[[(3-iodophenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219781
2-phenyl-2-[3-(propan-2-ylcarbamoylamino)anilino]acetamide
CID 51078431
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635

Frequently Asked Questions

What is the IUPAC name of 2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid (CID 61186265) is 2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid is O=C(Nc1cccc(I)c1)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid?
The InChIKey is DFCWXMULEMDEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN2O3/c16-11-7-4-8-12(9-11)17-15(21)18-13(14(19)20)10-5-2-1-3-6-10/h1-9,13H,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid?
2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid has a molecular weight of 396.18 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-iodophenyl)carbamoylamino]-2-phenylacetic acid is sourced from PubChem (CID 61186265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).