2-[2-[chloro(difluoro)methyl]phenyl]butanamide

C11H12ClF2NO — CID 67505681

IUPAC2-[2-[chloro(difluoro)methyl]phenyl]butanamide
SMILESCCC(C(N)=O)c1ccccc1C(F)(F)Cl
InChIInChI=1S/C11H12ClF2NO/c1-2-7(10(15)16)8-5-3-4-6-9(8)11(12,13)14/h3-7H,2H2,1H3,(H2,15,16)
InChIKeyPUTKUGBFUPZSFL-UHFFFAOYSA-N
MW247.67 g/mol
LogP2.95
Rot. Bonds4

About 2-[2-[chloro(difluoro)methyl]phenyl]butanamide

2-[2-[chloro(difluoro)methyl]phenyl]butanamide (PubChem CID 67505681) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is 2-[2-[chloro(difluoro)methyl]phenyl]butanamide.

Molecular Properties

Compound Name2-[2-[chloro(difluoro)methyl]phenyl]butanamide
PubChem CID67505681
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name2-[2-[chloro(difluoro)methyl]phenyl]butanamide
SMILESCCC(C(N)=O)c1ccccc1C(F)(F)Cl
InChIInChI=1S/C11H12ClF2NO/c1-2-7(10(15)16)8-5-3-4-6-9(8)11(12,13)14/h3-7H,2H2,1H3,(H2,15,16)
InChIKeyPUTKUGBFUPZSFL-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 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 ≤ 52.95
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

2-(2-ethylphenyl)butanamide
CID 69466890
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
3-nitro-2-[2-(trifluoromethyl)phenyl]propanamide
CID 174642340
2-[2-(2-trimethylsilylethynyl)phenyl]butanamide
CID 86712268
(2R)-2-phenylbutanamide
CID 139147476
2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide
CID 86590042
2-[2-(trifluoromethyl)phenyl]hexanoyl chloride
CID 58351069
4-amino-3-[2-(trifluoromethyl)phenyl]hexanoic acid
CID 66098371
ethyl (3R)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoate
CID 29059632
(2S)-2-(4-chlorophenyl)butanamide
CID 174406593
ethyl 2-[hydroxy-[2-(trifluoromethyl)phenyl]methyl]butanoate
CID 62394555
3-[2-(trifluoromethylsulfonyl)phenyl]pentan-2-one
CID 63196973

Frequently Asked Questions

What is the IUPAC name of 2-[2-[chloro(difluoro)methyl]phenyl]butanamide?
The IUPAC name of 2-[2-[chloro(difluoro)methyl]phenyl]butanamide (CID 67505681) is 2-[2-[chloro(difluoro)methyl]phenyl]butanamide.
What is the SMILES notation for 2-[2-[chloro(difluoro)methyl]phenyl]butanamide?
The canonical SMILES for 2-[2-[chloro(difluoro)methyl]phenyl]butanamide is CCC(C(N)=O)c1ccccc1C(F)(F)Cl.
What is the InChIKey of 2-[2-[chloro(difluoro)methyl]phenyl]butanamide?
The InChIKey is PUTKUGBFUPZSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c1-2-7(10(15)16)8-5-3-4-6-9(8)11(12,13)14/h3-7H,2H2,1H3,(H2,15,16).
What are the key properties of 2-[2-[chloro(difluoro)methyl]phenyl]butanamide?
2-[2-[chloro(difluoro)methyl]phenyl]butanamide has a molecular weight of 247.67 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[chloro(difluoro)methyl]phenyl]butanamide is sourced from PubChem (CID 67505681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).