2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide

C14H19F3N2O — CID 60684996

IUPAC2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCc1ccc(NCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-2-3-4-11-5-7-12(8-6-11)18-9-13(20)19-10-14(15,16)17/h5-8,18H,2-4,9-10H2,1H3,(H,19,20)
InChIKeyRBPCWJFOEGIONB-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.12
Rot. Bonds7

About 2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60684996) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60684996
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCc1ccc(NCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-2-3-4-11-5-7-12(8-6-11)18-9-13(20)19-10-14(15,16)17/h5-8,18H,2-4,9-10H2,1H3,(H,19,20)
InChIKeyRBPCWJFOEGIONB-UHFFFAOYSA-N
XLogP3.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide 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-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60638136
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
2-(4-pentylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 112776801
N-propyl-2-(4-propylanilino)acetamide
CID 43216175
4-butyl-N-(2-methylprop-2-enyl)aniline
CID 62331325
methyl 3-(4-butylanilino)-2-hydroxy-2-methylpropanoate
CID 104643925
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81369144
N-(4-butylphenyl)-2-(4-nitroanilino)acetamide
CID 9082113
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
2-(4-butylphenyl)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 103712966
N-(4-propylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957889
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813745

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60684996) is 2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide is CCCCc1ccc(NCC(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RBPCWJFOEGIONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-3-4-11-5-7-12(8-6-11)18-9-13(20)19-10-14(15,16)17/h5-8,18H,2-4,9-10H2,1H3,(H,19,20).
What are the key properties of 2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60684996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).