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

C16H15ClFNO — CID 121261386

IUPAC3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H15ClFNO/c1-10(2)11-3-6-13(7-4-11)19-16(20)12-5-8-15(18)14(17)9-12/h3-10H,1-2H3,(H,19,20)
InChIKeyOLKIARVVKAXPBG-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.85
Rot. Bonds3

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

3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 121261386) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
PubChem CID121261386
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H15ClFNO/c1-10(2)11-3-6-13(7-4-11)19-16(20)12-5-8-15(18)14(17)9-12/h3-10H,1-2H3,(H,19,20)
InChIKeyOLKIARVVKAXPBG-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

4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
3,5-difluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4785745
4-[(3-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 82873844
N-(3,4-dichlorophenyl)-4-propan-2-ylbenzamide
CID 896623
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092487
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826
4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043948
4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide
CID 24641042

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide (CID 121261386) is 3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is OLKIARVVKAXPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-10(2)11-3-6-13(7-4-11)19-16(20)12-5-8-15(18)14(17)9-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of 3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide?
3-chloro-4-fluoro-N-(4-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 3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 121261386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).