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

C15H13ClFNO2 — CID 103944456

IUPAC3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2/c16-12-8-11(6-7-13(12)17)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)/t14-/m0/s1
InChIKeyTZKMWJHBKNCVDJ-AWEZNQCLSA-N
MW293.73 g/mol
LogP2.94
Rot. Bonds4

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

3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 103944456) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID103944456
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Name3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2/c16-12-8-11(6-7-13(12)17)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)/t14-/m0/s1
InChIKeyTZKMWJHBKNCVDJ-AWEZNQCLSA-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-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184761
4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
3,4,5-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772740
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
3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 82877236
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 3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide (CID 103944456) is 3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide is O=C(N[C@@H](CO)c1ccccc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is TZKMWJHBKNCVDJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c16-12-8-11(6-7-13(12)17)15(20)18-14(9-19)10-4-2-1-3-5-10/h1-8,14,19H,9H2,(H,18,20)/t14-/m0/s1.
What are the key properties of 3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
3-chloro-4-fluoro-N-[(1R)-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 3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 103944456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).