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

C16H15ClFNO2 — CID 82877236

IUPAC3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
SMILESO=C(NC(CO)Cc1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15ClFNO2/c17-14-9-12(6-7-15(14)18)16(21)19-13(10-20)8-11-4-2-1-3-5-11/h1-7,9,13,20H,8,10H2,(H,19,21)
InChIKeyZDYYLASPDLOHAH-UHFFFAOYSA-N
MW307.75 g/mol
LogP2.81
Rot. Bonds5

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

3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide (PubChem CID 82877236) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
PubChem CID82877236
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
SMILESO=C(NC(CO)Cc1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15ClFNO2/c17-14-9-12(6-7-15(14)18)16(21)19-13(10-20)8-11-4-2-1-3-5-11/h1-7,9,13,20H,8,10H2,(H,19,21)
InChIKeyZDYYLASPDLOHAH-UHFFFAOYSA-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

Analyze 3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylbenzamide
CID 107861214
3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860609
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260573
5,6-dichloro-N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63259936
4-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673887
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
3-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260610
3-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 39086919
N-(1-chloro-3-phenylpropan-2-yl)-3,4-difluorobenzamide
CID 74554933
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456
3,4-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102103629
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide (CID 82877236) is 3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide is O=C(NC(CO)Cc1ccccc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
The InChIKey is ZDYYLASPDLOHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-14-9-12(6-7-15(14)18)16(21)19-13(10-20)8-11-4-2-1-3-5-11/h1-7,9,13,20H,8,10H2,(H,19,21).
What are the key properties of 3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
3-chloro-4-fluoro-N-(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 3-chloro-4-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 82877236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).