4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C15H14ClNO2 — CID 1480121

IUPAC4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c16-13-8-6-12(7-9-13)15(19)17-14(10-18)11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,17,19)/t14-/m1/s1
InChIKeyUCBKJROROHUCRZ-CQSZACIVSA-N
MW275.74 g/mol
LogP2.80
Rot. Bonds4

About 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 1480121) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID1480121
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c16-13-8-6-12(7-9-13)15(19)17-14(10-18)11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,17,19)/t14-/m1/s1
InChIKeyUCBKJROROHUCRZ-CQSZACIVSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide
CID 11024937
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
4-chloro-3-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103944860
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945042

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 1480121) is 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is O=C(N[C@H](CO)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is UCBKJROROHUCRZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-13-8-6-12(7-9-13)15(19)17-14(10-18)11-4-2-1-3-5-11/h1-9,14,18H,10H2,(H,17,19)/t14-/m1/s1.
What are the key properties of 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 275.74 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 1480121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).