N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide

C16H14ClF2NO — CID 134936949

IUPACN-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide
SMILESCC(=O)NC(c1ccc(Cl)cc1)C(F)(F)c1ccccc1
InChIInChI=1S/C16H14ClF2NO/c1-11(21)20-15(12-7-9-14(17)10-8-12)16(18,19)13-5-3-2-4-6-13/h2-10,15H,1H3,(H,20,21)
InChIKeyWZPWONRYCLVKDU-UHFFFAOYSA-N
MW309.74 g/mol
LogP4.31
Rot. Bonds4

About N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide

N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide (PubChem CID 134936949) has the molecular formula C16H14ClF2NO and a molecular weight of 309.74 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide
PubChem CID134936949
Molecular FormulaC16H14ClF2NO
Molecular Weight309.74 g/mol
Exact Mass309.07
IUPAC NameN-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide
SMILESCC(=O)NC(c1ccc(Cl)cc1)C(F)(F)c1ccccc1
InChIInChI=1S/C16H14ClF2NO/c1-11(21)20-15(12-7-9-14(17)10-8-12)16(18,19)13-5-3-2-4-6-13/h2-10,15H,1H3,(H,20,21)
InChIKeyWZPWONRYCLVKDU-UHFFFAOYSA-N
XLogP4.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
CID 23550324
(R)-3-chloro-N-[1-(4-chlorophenyl)ethyl]-3-methyl-1-(trifluoromethyl)cyclobutanecarboxamide
CID 23550325
N-(4-chlorobenzyl)-2-ethylbutanamide
CID 882084
N-(4-chlorobenzyl)-4-phenylbutanamide
CID 885528
(E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide
CID 2598217
N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 4879874
2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4881897
N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 2854245
N-benzyl-3-(2-chlorophenyl)acrylamide
CID 5333112
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide
CID 11589093
(E)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 11983241
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 15983441

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide (CID 134936949) is N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide is CC(=O)NC(c1ccc(Cl)cc1)C(F)(F)c1ccccc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide?
The InChIKey is WZPWONRYCLVKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO/c1-11(21)20-15(12-7-9-14(17)10-8-12)16(18,19)13-5-3-2-4-6-13/h2-10,15H,1H3,(H,20,21).
What are the key properties of N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide?
N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide has a molecular weight of 309.74 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide is sourced from PubChem (CID 134936949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).