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

C18H19F2NO — CID 43000604

IUPACN-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
SMILESCC(CC(=O)NC(C)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C18H19F2NO/c1-12(14-6-4-3-5-7-14)10-18(22)21-13(2)15-8-9-16(19)17(20)11-15/h3-9,11-13H,10H2,1-2H3,(H,21,22)
InChIKeyIZFRKZCFEYNHFA-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.34
Rot. Bonds5

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

N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide (PubChem CID 43000604) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
PubChem CID43000604
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
SMILESCC(CC(=O)NC(C)c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C18H19F2NO/c1-12(14-6-4-3-5-7-14)10-18(22)21-13(2)15-8-9-16(19)17(20)11-15/h3-9,11-13H,10H2,1-2H3,(H,21,22)
InChIKeyIZFRKZCFEYNHFA-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide
CID 26082762
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
5-[1-(3,4-difluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662108
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide
CID 31195240
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416
N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide (CID 43000604) is N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide is CC(CC(=O)NC(C)c1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide?
The InChIKey is IZFRKZCFEYNHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c1-12(14-6-4-3-5-7-14)10-18(22)21-13(2)15-8-9-16(19)17(20)11-15/h3-9,11-13H,10H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide?
N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide has a molecular weight of 303.35 g/mol, XLogP of 4.34, 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]-3-phenylbutanamide is sourced from PubChem (CID 43000604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).