N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide

C17H14F5NO — CID 55591847

IUPACN-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F5NO/c1-2-23(13-7-8-14(18)15(19)10-13)16(24)9-11-3-5-12(6-4-11)17(20,21)22/h3-8,10H,2,9H2,1H3
InChIKeyFQAJYSZGHKDSJX-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.58
Rot. Bonds4

About N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide

N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 55591847) has the molecular formula C17H14F5NO and a molecular weight of 343.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID55591847
Molecular FormulaC17H14F5NO
Molecular Weight343.30 g/mol
Exact Mass343.10
IUPAC NameN-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F5NO/c1-2-23(13-7-8-14(18)15(19)10-13)16(24)9-11-3-5-12(6-4-11)17(20,21)22/h3-8,10H,2,9H2,1H3
InChIKeyFQAJYSZGHKDSJX-UHFFFAOYSA-N
XLogP4.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide
CID 55592767
2-amino-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 28794968
N-(3,4-difluorophenyl)-N-ethyl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 55609390
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114184
N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 63395080
2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 55593364
N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 176738854
1-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 91020415
N,N-diethyl-2-(N-ethyl-3,4-difluoroanilino)acetamide
CID 78903043
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114873
N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 46046919

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 55591847) is N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide is CCN(C(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FQAJYSZGHKDSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5NO/c1-2-23(13-7-8-14(18)15(19)10-13)16(24)9-11-3-5-12(6-4-11)17(20,21)22/h3-8,10H,2,9H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 343.30 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55591847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).