3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide

C12H14F4N2O — CID 114831963

IUPAC3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCC(Cc1ccc(F)cc1)(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C12H14F4N2O/c1-11(10(17)19,18-7-12(14,15)16)6-8-2-4-9(13)5-3-8/h2-5,18H,6-7H2,1H3,(H2,17,19)
InChIKeyKZZNWKWAGVYXKQ-UHFFFAOYSA-N
MW278.25 g/mol
LogP1.76
Rot. Bonds5

About 3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide

3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide (PubChem CID 114831963) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide
PubChem CID114831963
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide
SMILESCC(Cc1ccc(F)cc1)(NCC(F)(F)F)C(N)=O
InChIInChI=1S/C12H14F4N2O/c1-11(10(17)19,18-7-12(14,15)16)6-8-2-4-9(13)5-3-8/h2-5,18H,6-7H2,1H3,(H2,17,19)
InChIKeyKZZNWKWAGVYXKQ-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide 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

2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide
CID 114832222
3-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 114834276
2-(4-chloroanilino)-3-(4-fluorophenyl)-2-methylpropanamide
CID 114831914
2-(3-fluorophenyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 54892842
2-(cyclopropylmethylamino)-3-(3-fluorophenyl)-2-methylpropanamide
CID 114831942
2-methyl-3-phenyl-2-(propylamino)propanamide
CID 114988742
2-anilino-3-(4-fluorophenyl)-2-methylpropanoic acid
CID 114832037
2-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 54892605
2-(5-bromofuran-2-yl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 104653438
2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide
CID 70707919
4,4-difluoro-5-(4-fluorophenyl)pentanamide
CID 67372008
(2S)-2-acetamido-3-(3-fluorophenyl)-2-methylpropanamide
CID 10799935

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide (CID 114831963) is 3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide is CC(Cc1ccc(F)cc1)(NCC(F)(F)F)C(N)=O.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide?
The InChIKey is KZZNWKWAGVYXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-11(10(17)19,18-7-12(14,15)16)6-8-2-4-9(13)5-3-8/h2-5,18H,6-7H2,1H3,(H2,17,19).
What are the key properties of 3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide?
3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide has a molecular weight of 278.25 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanamide is sourced from PubChem (CID 114831963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).