N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide

C18H19F3N2O — CID 109023020

IUPACN-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNc1ccc(F)c(F)c1F
InChIInChI=1S/C18H19F3N2O/c1-2-23(12-13-6-4-3-5-7-13)16(24)10-11-22-15-9-8-14(19)17(20)18(15)21/h3-9,22H,2,10-12H2,1H3
InChIKeyJHACSBJKYCXFHT-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.95
Rot. Bonds7

About N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide

N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide (PubChem CID 109023020) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide
PubChem CID109023020
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCNc1ccc(F)c(F)c1F
InChIInChI=1S/C18H19F3N2O/c1-2-23(12-13-6-4-3-5-7-13)16(24)10-11-22-15-9-8-14(19)17(20)18(15)21/h3-9,22H,2,10-12H2,1H3
InChIKeyJHACSBJKYCXFHT-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-ethyl-3-(2-phenoxyanilino)propanamide
CID 109023002
N-benzyl-N-ethyl-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109022875
N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide
CID 109022967
N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
CID 109022888
N-benzyl-N-ethyl-3-(3-methylanilino)propanamide
CID 109022921
N-benzyl-3-(4-cyanoanilino)-N-ethylpropanamide
CID 109023018
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-ethylpropanamide
CID 109022997
N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide
CID 109013097

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide?
The IUPAC name of N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide (CID 109023020) is N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide is CCN(Cc1ccccc1)C(=O)CCNc1ccc(F)c(F)c1F.
What is the InChIKey of N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide?
The InChIKey is JHACSBJKYCXFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-2-23(12-13-6-4-3-5-7-13)16(24)10-11-22-15-9-8-14(19)17(20)18(15)21/h3-9,22H,2,10-12H2,1H3.
What are the key properties of N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide?
N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide has a molecular weight of 336.36 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(2,3,4-trifluoroanilino)propanamide is sourced from PubChem (CID 109023020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).