4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide

C16H15ClFNO2 — CID 102673887

IUPAC4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H15ClFNO2/c17-12-6-7-14(15(18)9-12)16(21)19-13(10-20)8-11-4-2-1-3-5-11/h1-7,9,13,20H,8,10H2,(H,19,21)/t13-/m0/s1
InChIKeyFMHMOMVXLATDIE-ZDUSSCGKSA-N
MW307.75 g/mol
LogP2.81
Rot. Bonds5

About 4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide

4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide (PubChem CID 102673887) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
PubChem CID102673887
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccc(Cl)cc1F
InChIInChI=1S/C16H15ClFNO2/c17-12-6-7-14(15(18)9-12)16(21)19-13(10-20)8-11-4-2-1-3-5-11/h1-7,9,13,20H,8,10H2,(H,19,21)/t13-/m0/s1
InChIKeyFMHMOMVXLATDIE-ZDUSSCGKSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
2-fluoro-4-hydroxy-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 104696636
4-(dimethylamino)-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 84592943
3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 82877236
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
3-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861450
5-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 107861282
4-chloro-2,5-difluoro-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 122147380
N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
CID 63754320
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide (CID 102673887) is 4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide is O=C(N[C@H](CO)Cc1ccccc1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The InChIKey is FMHMOMVXLATDIE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-12-6-7-14(15(18)9-12)16(21)19-13(10-20)8-11-4-2-1-3-5-11/h1-7,9,13,20H,8,10H2,(H,19,21)/t13-/m0/s1.
What are the key properties of 4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide has a molecular weight of 307.75 g/mol, XLogP of 2.81, 5 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)-1-hydroxy-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 102673887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).