2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide

C11H12ClF2NO — CID 43697344

IUPAC2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
SMILESCC(Cl)C(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C11H12ClF2NO/c1-6(12)11(16)15-7(2)8-3-4-9(13)10(14)5-8/h3-7H,1-2H3,(H,15,16)
InChIKeyVPKUONYYJIMBJT-UHFFFAOYSA-N
MW247.67 g/mol
LogP2.77
Rot. Bonds3

About 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide

2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide (PubChem CID 43697344) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
PubChem CID43697344
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
SMILESCC(Cl)C(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C11H12ClF2NO/c1-6(12)11(16)15-7(2)8-3-4-9(13)10(14)5-8/h3-7H,1-2H3,(H,15,16)
InChIKeyVPKUONYYJIMBJT-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 78778244
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342
(2S)-2-amino-N-[1-(3,4-difluorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119686370
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
2-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 43698352
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
2-bromo-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]propanamide
CID 149125323
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide
CID 31195240
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]pentanamide
CID 43697347
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide?
The IUPAC name of 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide (CID 43697344) is 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide is CC(Cl)C(=O)NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide?
The InChIKey is VPKUONYYJIMBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c1-6(12)11(16)15-7(2)8-3-4-9(13)10(14)5-8/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide?
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide has a molecular weight of 247.67 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide is sourced from PubChem (CID 43697344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).