4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide

C15H13ClFNO2 — CID 51681217

IUPAC4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
SMILESO=C(NC[C@@H](O)c1ccccc1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClFNO2/c16-11-6-7-12(13(17)8-11)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)/t14-/m1/s1
InChIKeyAMGACDDPNWJGFX-CQSZACIVSA-N
MW293.73 g/mol
LogP2.94
Rot. Bonds4

About 4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide

4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide (PubChem CID 51681217) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
PubChem CID51681217
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
SMILESO=C(NC[C@@H](O)c1ccccc1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H13ClFNO2/c16-11-6-7-12(13(17)8-11)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)/t14-/m1/s1
InChIKeyAMGACDDPNWJGFX-CQSZACIVSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 43498535
2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
4-fluoro-2-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 103829637
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2-fluorobenzamide
CID 107261069
4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723353
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
4-chloro-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915104
2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 110280061
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
2-fluoro-6-hydroxy-N-(2-hydroxy-2-phenylethyl)benzamide
CID 104920211

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide (CID 51681217) is 4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide is O=C(NC[C@@H](O)c1ccccc1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The InChIKey is AMGACDDPNWJGFX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-11-6-7-12(13(17)8-11)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)/t14-/m1/s1.
What are the key properties of 4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide has a molecular weight of 293.73 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide is sourced from PubChem (CID 51681217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).