N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide

C17H16F3NO2 — CID 42961600

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCC(NC(=O)Cc1cccc(F)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H16F3NO2/c1-11(13-5-3-7-15(10-13)23-17(19)20)21-16(22)9-12-4-2-6-14(18)8-12/h2-8,10-11,17H,9H2,1H3,(H,21,22)
InChIKeyGFQRHXMSCMYXLQ-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.85
Rot. Bonds6

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 42961600) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID42961600
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCC(NC(=O)Cc1cccc(F)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C17H16F3NO2/c1-11(13-5-3-7-15(10-13)23-17(19)20)21-16(22)9-12-4-2-6-14(18)8-12/h2-8,10-11,17H,9H2,1H3,(H,21,22)
InChIKeyGFQRHXMSCMYXLQ-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-pyrimidin-5-ylacetamide
CID 124884144
2-(3-fluorophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134045512
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 9437325
5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 82013441
3-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949773
1-[3-(difluoromethoxy)phenyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 61065406
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 42961602
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 51729577
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55776374
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 110894255
N-(1,1-diphenylpropan-2-yl)-2-(3-fluorophenyl)acetamide
CID 46436394

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide (CID 42961600) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide is CC(NC(=O)Cc1cccc(F)c1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is GFQRHXMSCMYXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c1-11(13-5-3-7-15(10-13)23-17(19)20)21-16(22)9-12-4-2-6-14(18)8-12/h2-8,10-11,17H,9H2,1H3,(H,21,22).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 323.31 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 42961600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).