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

C14H19F2NO — CID 78778244

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO/c1-4-10(5-2)14(18)17-9(3)11-6-7-12(15)13(16)8-11/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyIOHWGXSXEBLCPL-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.58
Rot. Bonds5

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

N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide (PubChem CID 78778244) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
PubChem CID78778244
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO/c1-4-10(5-2)14(18)17-9(3)11-6-7-12(15)13(16)8-11/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyIOHWGXSXEBLCPL-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 43697344
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide
CID 31195240
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
(2S)-2-amino-N-[1-(3,4-difluorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119686370
2-(aminomethyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354281
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633
2-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]butanamide
CID 81354622
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide (CID 78778244) is N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide?
The InChIKey is IOHWGXSXEBLCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-4-10(5-2)14(18)17-9(3)11-6-7-12(15)13(16)8-11/h6-10H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide?
N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide has a molecular weight of 255.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 78778244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).