N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide

C16H15ClFNO — CID 9096519

IUPACN-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15ClFNO/c1-16(2,11-6-4-3-5-7-11)15(20)19-12-8-9-14(18)13(17)10-12/h3-10H,1-2H3,(H,19,20)
InChIKeySPRZHSMJZWXIFX-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.40
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide

N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide (PubChem CID 9096519) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide
PubChem CID9096519
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15ClFNO/c1-16(2,11-6-4-3-5-7-11)15(20)19-12-8-9-14(18)13(17)10-12/h3-10H,1-2H3,(H,19,20)
InChIKeySPRZHSMJZWXIFX-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968856
N-(3,5-difluorophenyl)-2-methyl-2-phenylpropanamide
CID 47126345
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
CID 95368093
2-amino-N-(4-chloro-3-fluorophenyl)-2-phenylpropanamide
CID 62487359
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-2-phenylpropanamide
CID 55527551
2-methyl-2-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 13309478
N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969217
N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
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N-[3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54818383
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CID 26166664

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide (CID 9096519) is N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide is CC(C)(C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide?
The InChIKey is SPRZHSMJZWXIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-16(2,11-6-4-3-5-7-11)15(20)19-12-8-9-14(18)13(17)10-12/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide?
N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide has a molecular weight of 291.75 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 9096519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).