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

C12H14ClF2NO — CID 134937789

IUPACN-[1-(4-chlorophenyl)-2,2-difluoropropyl]propanamide
SMILESCCC(=O)NC(c1ccc(Cl)cc1)C(C)(F)F
InChIInChI=1S/C12H14ClF2NO/c1-3-10(17)16-11(12(2,14)15)8-4-6-9(13)7-5-8/h4-7,11H,3H2,1-2H3,(H,16,17)
InChIKeyLSIIDDRUYFMMID-UHFFFAOYSA-N
MW261.70 g/mol
LogP3.56
Rot. Bonds4

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

N-[1-(4-chlorophenyl)-2,2-difluoropropyl]propanamide (PubChem CID 134937789) has the molecular formula C12H14ClF2NO and a molecular weight of 261.70 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2,2-difluoropropyl]propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2,2-difluoropropyl]propanamide
PubChem CID134937789
Molecular FormulaC12H14ClF2NO
Molecular Weight261.70 g/mol
Exact Mass261.07
IUPAC NameN-[1-(4-chlorophenyl)-2,2-difluoropropyl]propanamide
SMILESCCC(=O)NC(c1ccc(Cl)cc1)C(C)(F)F
InChIInChI=1S/C12H14ClF2NO/c1-3-10(17)16-11(12(2,14)15)8-4-6-9(13)7-5-8/h4-7,11H,3H2,1-2H3,(H,16,17)
InChIKeyLSIIDDRUYFMMID-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 53.56
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
4-chloro-N-pentan-2-ylbenzamide
CID 346701

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2,2-difluoropropyl]propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2,2-difluoropropyl]propanamide (CID 134937789) is N-[1-(4-chlorophenyl)-2,2-difluoropropyl]propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2,2-difluoropropyl]propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2,2-difluoropropyl]propanamide is CCC(=O)NC(c1ccc(Cl)cc1)C(C)(F)F.
What is the InChIKey of N-[1-(4-chlorophenyl)-2,2-difluoropropyl]propanamide?
The InChIKey is LSIIDDRUYFMMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO/c1-3-10(17)16-11(12(2,14)15)8-4-6-9(13)7-5-8/h4-7,11H,3H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-chlorophenyl)-2,2-difluoropropyl]propanamide?
N-[1-(4-chlorophenyl)-2,2-difluoropropyl]propanamide has a molecular weight of 261.70 g/mol, XLogP of 3.56, 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-difluoropropyl]propanamide is sourced from PubChem (CID 134937789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).