5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide

C16H15ClFNO2 — CID 111471543

IUPAC5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
SMILESO=C(NCCC(O)c1ccccc1)c1cc(Cl)ccc1F
InChIInChI=1S/C16H15ClFNO2/c17-12-6-7-14(18)13(10-12)16(21)19-9-8-15(20)11-4-2-1-3-5-11/h1-7,10,15,20H,8-9H2,(H,19,21)
InChIKeyDROUBYCQLAKANK-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.33
Rot. Bonds5

About 5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide

5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide (PubChem CID 111471543) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
PubChem CID111471543
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
SMILESO=C(NCCC(O)c1ccccc1)c1cc(Cl)ccc1F
InChIInChI=1S/C16H15ClFNO2/c17-12-6-7-14(18)13(10-12)16(21)19-9-8-15(20)11-4-2-1-3-5-11/h1-7,10,15,20H,8-9H2,(H,19,21)
InChIKeyDROUBYCQLAKANK-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665726
2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 99854560
2-chloro-N-(3-hydroxy-3-phenylpropyl)-4,5-dimethylbenzamide
CID 110027727
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132
N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
CID 80507130
2-bromo-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]benzamide
CID 100696524
2-fluoro-N-(3-hydroxy-3-phenylpropyl)-4-nitrobenzamide
CID 111472014
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
CID 97051849
2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide
CID 62947552
N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide (CID 111471543) is 5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide is O=C(NCCC(O)c1ccccc1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide?
The InChIKey is DROUBYCQLAKANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c17-12-6-7-14(18)13(10-12)16(21)19-9-8-15(20)11-4-2-1-3-5-11/h1-7,10,15,20H,8-9H2,(H,19,21).
What are the key properties of 5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide?
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide has a molecular weight of 307.75 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide is sourced from PubChem (CID 111471543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).