4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide

C15H11ClFNO3 — CID 40598411

IUPAC4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
SMILESO=C(N[C@H](O)C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFNO3/c16-11-5-1-10(2-6-11)14(20)18-15(21)13(19)9-3-7-12(17)8-4-9/h1-8,15,21H,(H,18,20)/t15-/m1/s1
InChIKeyCUWHMKYZAAHTSB-OAHLLOKOSA-N
MW307.71 g/mol
LogP2.41
Rot. Bonds4

About 4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide

4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide (PubChem CID 40598411) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
PubChem CID40598411
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
SMILESO=C(N[C@H](O)C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClFNO3/c16-11-5-1-10(2-6-11)14(20)18-15(21)13(19)9-3-7-12(17)8-4-9/h1-8,15,21H,(H,18,20)/t15-/m1/s1
InChIKeyCUWHMKYZAAHTSB-OAHLLOKOSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(1R)-2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 34256272
N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide
CID 34256707
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide
CID 3039041
N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide
CID 27349912
4-chloro-N-[(1S)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 34317936
4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide
CID 22761225
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate
CID 122388095
ethyl 2-[(4-chlorobenzoyl)amino]-2-hydroxyacetate
CID 121220788

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide (CID 40598411) is 4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide is O=C(N[C@H](O)C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide?
The InChIKey is CUWHMKYZAAHTSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c16-11-5-1-10(2-6-11)14(20)18-15(21)13(19)9-3-7-12(17)8-4-9/h1-8,15,21H,(H,18,20)/t15-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide?
4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide has a molecular weight of 307.71 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide is sourced from PubChem (CID 40598411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).