4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide

C16H15ClFNO — CID 52663224

IUPAC4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C16H15ClFNO/c1-11(2)19(13-6-4-3-5-7-13)16(20)14-9-8-12(17)10-15(14)18/h3-11H,1-2H3
InChIKeyBUBFATPGAZCVCG-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.53
Rot. Bonds3

About 4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide

4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide (PubChem CID 52663224) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide
PubChem CID52663224
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C(=O)c1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C16H15ClFNO/c1-11(2)19(13-6-4-3-5-7-13)16(20)14-9-8-12(17)10-15(14)18/h3-11H,1-2H3
InChIKeyBUBFATPGAZCVCG-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide
CID 91395635
4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
CID 56919945
2,6-dichloro-N-phenyl-N-propan-2-ylpyridine-3-carboxamide
CID 91421539
2,4-dichloro-N-(3-methylphenyl)-N-propan-2-ylbenzamide
CID 91542770
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
5-chloro-2-[(2,4-difluorobenzoyl)-(difluoromethyl)amino]benzoic acid
CID 10361242
3-fluoro-4-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 78892722
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-5-chlorobenzoate
CID 7472403
2-(2,5-dichloroanilino)-N-phenyl-N-propan-2-ylacetamide
CID 2408074
(2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone
CID 104891231
N-chloroaniline;(3-chlorophenyl)-propan-2-ylcarbamic acid
CID 175962918

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide (CID 52663224) is 4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide is CC(C)N(C(=O)c1ccc(Cl)cc1F)c1ccccc1.
What is the InChIKey of 4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide?
The InChIKey is BUBFATPGAZCVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-11(2)19(13-6-4-3-5-7-13)16(20)14-9-8-12(17)10-15(14)18/h3-11H,1-2H3.
What are the key properties of 4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide?
4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide has a molecular weight of 291.75 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 52663224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).