(2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid

C15H11ClFNO3 — CID 29274840

IUPAC(2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H11ClFNO3/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-/m0/s1
InChIKeyXJNVWXWMBHFBSC-ZDUSSCGKSA-N
MW307.71 g/mol
LogP3.03
Rot. Bonds4

About (2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid

(2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid (PubChem CID 29274840) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is (2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid
PubChem CID29274840
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name(2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H11ClFNO3/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-/m0/s1
InChIKeyXJNVWXWMBHFBSC-ZDUSSCGKSA-N
XLogP3.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid (CID 29274840) is (2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)c1cc(Cl)ccc1F.
What is the InChIKey of (2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid?
The InChIKey is XJNVWXWMBHFBSC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H11ClFNO3/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-/m0/s1.
What are the key properties of (2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid?
(2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid has a molecular weight of 307.71 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 29274840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).