N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide

C16H16F3N3O — CID 109001618

IUPACN-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide
SMILESCN(CCc1ccncc1)C(=O)CNc1ccc(F)c(F)c1F
InChIInChI=1S/C16H16F3N3O/c1-22(9-6-11-4-7-20-8-5-11)14(23)10-21-13-3-2-12(17)15(18)16(13)19/h2-5,7-8,21H,6,9-10H2,1H3
InChIKeyJCXAMUQUAHVQDV-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.61
Rot. Bonds6

About N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide

N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide (PubChem CID 109001618) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide
PubChem CID109001618
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide
SMILESCN(CCc1ccncc1)C(=O)CNc1ccc(F)c(F)c1F
InChIInChI=1S/C16H16F3N3O/c1-22(9-6-11-4-7-20-8-5-11)14(23)10-21-13-3-2-12(17)15(18)16(13)19/h2-5,7-8,21H,6,9-10H2,1H3
InChIKeyJCXAMUQUAHVQDV-UHFFFAOYSA-N
XLogP2.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(diethylamino)-2-methylanilino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001612
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 109001471
2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001538
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993682
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
2-amino-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]acetamide
CID 54944012
2-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993738
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide (CID 109001618) is N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide is CN(CCc1ccncc1)C(=O)CNc1ccc(F)c(F)c1F.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide?
The InChIKey is JCXAMUQUAHVQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-22(9-6-11-4-7-20-8-5-11)14(23)10-21-13-3-2-12(17)15(18)16(13)19/h2-5,7-8,21H,6,9-10H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide?
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide has a molecular weight of 323.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide is sourced from PubChem (CID 109001618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).