N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide

C17H17F3N2O — CID 109036338

IUPACN-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide
SMILESCCc1ccc(NC(=O)CCNc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C17H17F3N2O/c1-2-11-3-5-12(6-4-11)22-15(23)9-10-21-14-8-7-13(18)16(19)17(14)20/h3-8,21H,2,9-10H2,1H3,(H,22,23)
InChIKeyQVJGBJWNANFLLJ-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.11
Rot. Bonds6

About N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide

N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide (PubChem CID 109036338) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide
PubChem CID109036338
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC NameN-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide
SMILESCCc1ccc(NC(=O)CCNc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C17H17F3N2O/c1-2-11-3-5-12(6-4-11)22-15(23)9-10-21-14-8-7-13(18)16(19)17(14)20/h3-8,21H,2,9-10H2,1H3,(H,22,23)
InChIKeyQVJGBJWNANFLLJ-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109038175
N-phenyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109033887
N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380
N-(4-ethylphenyl)-3-(4-methylanilino)propanamide
CID 109034443
N-(3-acetamidophenyl)-3-(2,3,4-trifluoroanilino)propanamide
CID 109041136
methyl 4-[[3-(4-ethylanilino)-3-oxopropyl]amino]benzoate
CID 109036302
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide
CID 112990147
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109036370
3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109034329
3-(4-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109034139
N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide (CID 109036338) is N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide is CCc1ccc(NC(=O)CCNc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide?
The InChIKey is QVJGBJWNANFLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-2-11-3-5-12(6-4-11)22-15(23)9-10-21-14-8-7-13(18)16(19)17(14)20/h3-8,21H,2,9-10H2,1H3,(H,22,23).
What are the key properties of N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide?
N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide has a molecular weight of 322.33 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-(2,3,4-trifluoroanilino)propanamide is sourced from PubChem (CID 109036338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).