2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide

C16H15ClFNO — CID 110441991

IUPAC2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C16H15ClFNO/c1-16(2,12-8-4-6-10-14(12)18)19-15(20)11-7-3-5-9-13(11)17/h3-10H,1-2H3,(H,19,20)
InChIKeyNCGJSZURMYZHKG-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.14
Rot. Bonds3

About 2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide

2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide (PubChem CID 110441991) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide
PubChem CID110441991
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C16H15ClFNO/c1-16(2,12-8-4-6-10-14(12)18)19-15(20)11-7-3-5-9-13(11)17/h3-10H,1-2H3,(H,19,20)
InChIKeyNCGJSZURMYZHKG-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide
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CID 86948958
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
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5-amino-N-[2-(2-fluorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 110484229
3-fluoro-N-[2-(2-fluorophenyl)propan-2-yl]pyridine-2-carboxamide
CID 110474902
N-[2-(2-fluorophenyl)propan-2-yl]furan-2-carboxamide
CID 110443410
N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110441926
N-[2-(2-fluorophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460359
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
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N-[2-(2-fluorophenyl)propan-2-yl]-2-pyridin-4-ylacetamide
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methyl 2-(2-chloroanilino)-2-(2-fluorophenyl)propanoate
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide (CID 110441991) is 2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide is CC(C)(NC(=O)c1ccccc1Cl)c1ccccc1F.
What is the InChIKey of 2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide?
The InChIKey is NCGJSZURMYZHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-16(2,12-8-4-6-10-14(12)18)19-15(20)11-7-3-5-9-13(11)17/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide?
2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide has a molecular weight of 291.75 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-fluorophenyl)propan-2-yl]benzamide is sourced from PubChem (CID 110441991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).