4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide

C16H15ClFNO — CID 27162860

IUPAC4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C16H15ClFNO/c1-10(2)11-4-3-5-13(8-11)19-16(20)14-7-6-12(17)9-15(14)18/h3-10H,1-2H3,(H,19,20)
InChIKeyGSYQYDKQLXSJFB-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.85
Rot. Bonds3

About 4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide

4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 27162860) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
PubChem CID27162860
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C16H15ClFNO/c1-10(2)11-4-3-5-13(8-11)19-16(20)14-7-6-12(17)9-15(14)18/h3-10H,1-2H3,(H,19,20)
InChIKeyGSYQYDKQLXSJFB-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-hydroxy-N-(3-propan-2-ylphenyl)benzamide
CID 103939983
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N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
2,5-dichloro-N-[3-(1-hydroxyethyl)phenyl]benzamide
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4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)benzamide
CID 62661688
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 43436989
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-2-methoxybenzamide
CID 11841436
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
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N-(4-bromo-3-chlorophenyl)-4-chloro-2-fluorobenzamide
CID 100533267

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide (CID 27162860) is 4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide is CC(C)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1.
What is the InChIKey of 4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is GSYQYDKQLXSJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-10(2)11-4-3-5-13(8-11)19-16(20)14-7-6-12(17)9-15(14)18/h3-10H,1-2H3,(H,19,20).
What are the key properties of 4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide?
4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 291.75 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 27162860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).