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

C11H12ClF2NO — CID 134986429

IUPACN-[1-(4-chlorophenyl)-2,2-difluoroethyl]propanamide
SMILESCCC(=O)NC(c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C11H12ClF2NO/c1-2-9(16)15-10(11(13)14)7-3-5-8(12)6-4-7/h3-6,10-11H,2H2,1H3,(H,15,16)
InChIKeySSTHKFQZJPGHRN-UHFFFAOYSA-N
MW247.67 g/mol
LogP3.17
Rot. Bonds4

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

N-[1-(4-chlorophenyl)-2,2-difluoroethyl]propanamide (PubChem CID 134986429) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2-difluoroethyl]propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2-difluoroethyl]propanamide
PubChem CID134986429
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC NameN-[1-(4-chlorophenyl)-2,2-difluoroethyl]propanamide
SMILESCCC(=O)NC(c1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C11H12ClF2NO/c1-2-9(16)15-10(11(13)14)7-3-5-8(12)6-4-7/h3-6,10-11H,2H2,1H3,(H,15,16)
InChIKeySSTHKFQZJPGHRN-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 53.17
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
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4-chloro-N-pentan-2-ylbenzamide
CID 346701

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,2-difluoroethyl]propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2-difluoroethyl]propanamide (CID 134986429) is N-[1-(4-chlorophenyl)-2,2-difluoroethyl]propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2-difluoroethyl]propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2-difluoroethyl]propanamide is CCC(=O)NC(c1ccc(Cl)cc1)C(F)F.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2-difluoroethyl]propanamide?
The InChIKey is SSTHKFQZJPGHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c1-2-9(16)15-10(11(13)14)7-3-5-8(12)6-4-7/h3-6,10-11H,2H2,1H3,(H,15,16).
What are the key properties of N-[1-(4-chlorophenyl)-2,2-difluoroethyl]propanamide?
N-[1-(4-chlorophenyl)-2,2-difluoroethyl]propanamide has a molecular weight of 247.67 g/mol, XLogP of 3.17, 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-difluoroethyl]propanamide is sourced from PubChem (CID 134986429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).