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

C10H10ClF2NO — CID 11053548

IUPACN-[1-(4-chlorophenyl)-2,2-difluoroethyl]acetamide
SMILESCC(=O)NC(c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C10H10ClF2NO/c1-6(15)14-9(10(12)13)7-2-4-8(11)5-3-7/h2-5,9-10H,1H3,(H,14,15)
InChIKeyYRQAPIXFVKUFDK-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.78
Rot. Bonds3

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

N-[1-(4-chlorophenyl)-2,2-difluoroethyl]acetamide (PubChem CID 11053548) has the molecular formula C10H10ClF2NO and a molecular weight of 233.65 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2-difluoroethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2-difluoroethyl]acetamide
PubChem CID11053548
Molecular FormulaC10H10ClF2NO
Molecular Weight233.65 g/mol
Exact Mass233.04
IUPAC NameN-[1-(4-chlorophenyl)-2,2-difluoroethyl]acetamide
SMILESCC(=O)NC(c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C10H10ClF2NO/c1-6(15)14-9(10(12)13)7-2-4-8(11)5-3-7/h2-5,9-10H,1H3,(H,14,15)
InChIKeyYRQAPIXFVKUFDK-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Carpropamide
CID 449402
Carpropamid
CID 153847
4-Chloro-N-(1-methylethyl)benzamide
CID 24045
3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide
CID 23550315
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
2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid [(R)-1-(4-chloro-phenyl)-ethyl]-amide
CID 44288646
N-(2-chlorobenzyl)butanamide
CID 885659
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
N-[2-(4-chlorophenyl)ethyl]-N'-isopropylethanediamide
CID 2290457
2-chloro-N-(1-(3,4-dichlorophenyl)ethyl)acetamide
CID 3686662
N-(1-phenylethyl)acetamide
CID 222023

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,2-difluoroethyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2-difluoroethyl]acetamide (CID 11053548) is N-[1-(4-chlorophenyl)-2,2-difluoroethyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2-difluoroethyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2-difluoroethyl]acetamide is CC(=O)NC(c1ccc(Cl)cc1)C(F)F.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2-difluoroethyl]acetamide?
The InChIKey is YRQAPIXFVKUFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO/c1-6(15)14-9(10(12)13)7-2-4-8(11)5-3-7/h2-5,9-10H,1H3,(H,14,15).
What are the key properties of N-[1-(4-chlorophenyl)-2,2-difluoroethyl]acetamide?
N-[1-(4-chlorophenyl)-2,2-difluoroethyl]acetamide has a molecular weight of 233.65 g/mol, XLogP of 2.78, 3 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-difluoroethyl]acetamide is sourced from PubChem (CID 11053548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).