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

C16H15F2NO — CID 112764194

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
SMILESCC(NC(=O)Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NO/c1-11(13-7-8-14(17)15(18)10-13)19-16(20)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,19,20)
InChIKeyLOEBYCJCQGWAGI-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.38
Rot. Bonds4

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

N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide (PubChem CID 112764194) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
PubChem CID112764194
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
SMILESCC(NC(=O)Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NO/c1-11(13-7-8-14(17)15(18)10-13)19-16(20)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,19,20)
InChIKeyLOEBYCJCQGWAGI-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
CID 43000604
2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 78808643
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 18084334
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
5-[1-(3,4-difluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662108
2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 95624398
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633
(3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide
CID 26082762

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide (CID 112764194) is N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide is CC(NC(=O)Cc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide?
The InChIKey is LOEBYCJCQGWAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-11(13-7-8-14(17)15(18)10-13)19-16(20)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,19,20).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide?
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide has a molecular weight of 275.30 g/mol, XLogP of 3.38, 4 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-phenylacetamide is sourced from PubChem (CID 112764194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).