(2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid

C15H12ClNO4 — CID 12992874

IUPAC(2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid
SMILESO=C(Nc1ccc(Cl)cc1)O[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H12ClNO4/c16-11-6-8-12(9-7-11)17-15(20)21-13(14(18)19)10-4-2-1-3-5-10/h1-9,13H,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyNDFVROIASHUHND-CYBMUJFWSA-N
MW305.72 g/mol
LogP3.71
Rot. Bonds4

About (2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid

(2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid (PubChem CID 12992874) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid
PubChem CID12992874
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name(2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid
SMILESO=C(Nc1ccc(Cl)cc1)O[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C15H12ClNO4/c16-11-6-8-12(9-7-11)17-15(20)21-13(14(18)19)10-4-2-1-3-5-10/h1-9,13H,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyNDFVROIASHUHND-CYBMUJFWSA-N
XLogP3.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid (CID 12992874) is (2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid is O=C(Nc1ccc(Cl)cc1)O[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid?
The InChIKey is NDFVROIASHUHND-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H12ClNO4/c16-11-6-8-12(9-7-11)17-15(20)21-13(14(18)19)10-4-2-1-3-5-10/h1-9,13H,(H,17,20)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid?
(2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid has a molecular weight of 305.72 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)carbamoyloxy]-2-phenylacetic acid is sourced from PubChem (CID 12992874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).