4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide

C15H13ClFNO2 — CID 103944860

IUPAC4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
SMILESO=C(NC(CO)c1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13ClFNO2/c16-12-7-6-11(8-13(12)17)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)
InChIKeyHRPIDLYTWSNXLH-UHFFFAOYSA-N
MW293.73 g/mol
LogP2.94
Rot. Bonds4

About 4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide

4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide (PubChem CID 103944860) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
PubChem CID103944860
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
SMILESO=C(NC(CO)c1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H13ClFNO2/c16-12-7-6-11(8-13(12)17)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)
InChIKeyHRPIDLYTWSNXLH-UHFFFAOYSA-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

3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456
3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184761
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 99699618
4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103958252
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide (CID 103944860) is 4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide is O=C(NC(CO)c1ccccc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide?
The InChIKey is HRPIDLYTWSNXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-12-7-6-11(8-13(12)17)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20).
What are the key properties of 4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide?
4-chloro-3-fluoro-N-(2-hydroxy-1-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-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide is sourced from PubChem (CID 103944860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).