2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

C19H23FN2O — CID 134030730

IUPAC2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCCc1cccc(NC(C)C(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C19H23FN2O/c1-4-15-7-6-10-18(12-15)21-14(2)19(23)22(3)13-16-8-5-9-17(20)11-16/h5-12,14,21H,4,13H2,1-3H3
InChIKeyPLCYGONNQUMEIM-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.85
Rot. Bonds6

About 2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 134030730) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID134030730
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCCc1cccc(NC(C)C(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C19H23FN2O/c1-4-15-7-6-10-18(12-15)21-14(2)19(23)22(3)13-16-8-5-9-17(20)11-16/h5-12,14,21H,4,13H2,1-3H3
InChIKeyPLCYGONNQUMEIM-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide
CID 95255161
N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide
CID 134031135
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 134039310
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911679
N-(2,5-difluorophenyl)-2-(3-ethylanilino)propanamide
CID 46667072
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 95346005
3-[(3-fluorophenyl)methyl-methylamino]-2-(methylamino)-3-oxopropanoic acid
CID 115189481
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (CID 134030730) is 2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is CCc1cccc(NC(C)C(=O)N(C)Cc2cccc(F)c2)c1.
What is the InChIKey of 2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is PLCYGONNQUMEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-4-15-7-6-10-18(12-15)21-14(2)19(23)22(3)13-16-8-5-9-17(20)11-16/h5-12,14,21H,4,13H2,1-3H3.
What are the key properties of 2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 314.40 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 2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 134030730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).