(2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid

C15H11ClINO3 — CID 103804402

IUPAC(2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1cc(Cl)ccc1I
InChIInChI=1S/C15H11ClINO3/c16-10-6-7-12(17)11(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)/t13-/m1/s1
InChIKeyHRSLDPJVNCOWSK-CYBMUJFWSA-N
MW415.61 g/mol
LogP3.50
Rot. Bonds4

About (2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid

(2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid (PubChem CID 103804402) has the molecular formula C15H11ClINO3 and a molecular weight of 415.61 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid
PubChem CID103804402
Molecular FormulaC15H11ClINO3
Molecular Weight415.61 g/mol
Exact Mass414.95
IUPAC Name(2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1cc(Cl)ccc1I
InChIInChI=1S/C15H11ClINO3/c16-10-6-7-12(17)11(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)/t13-/m1/s1
InChIKeyHRSLDPJVNCOWSK-CYBMUJFWSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(5-chloro-2-methylbenzoyl)amino]-2-phenylacetic acid
CID 104896991
(2S)-2-[(5-chloro-2-iodobenzoyl)amino]-3-methylbutanoic acid
CID 103804174
2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid
CID 107731230
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481
2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 16771714
2-[(2,4-difluorobenzoyl)amino]-2-phenylacetic acid
CID 16771570
(2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-2-phenylacetic acid
CID 28741778
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
(2S)-2-[(3-bromo-5-chlorobenzoyl)amino]-2-phenylacetic acid
CID 107938356
2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286652
2-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 154863010
2-[(2,4-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107938463

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid (CID 103804402) is (2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1)c1cc(Cl)ccc1I.
What is the InChIKey of (2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid?
The InChIKey is HRSLDPJVNCOWSK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H11ClINO3/c16-10-6-7-12(17)11(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)/t13-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid?
(2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid has a molecular weight of 415.61 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-2-iodobenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 103804402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).