4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide

C20H22F4N2O — CID 66679315

IUPAC4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)CCCN(C)c1ccc(F)cc1
InChIInChI=1S/C20H22F4N2O/c1-25(17-11-9-16(21)10-12-17)13-5-8-19(27)26(2)14-15-6-3-4-7-18(15)20(22,23)24/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3
InChIKeyXQERUNHZFHLWDJ-UHFFFAOYSA-N
MW382.40 g/mol
LogP4.72
Rot. Bonds7

About 4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide

4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 66679315) has the molecular formula C20H22F4N2O and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID66679315
Molecular FormulaC20H22F4N2O
Molecular Weight382.40 g/mol
Exact Mass382.17
IUPAC Name4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)CCCN(C)c1ccc(F)cc1
InChIInChI=1S/C20H22F4N2O/c1-25(17-11-9-16(21)10-12-17)13-5-8-19(27)26(2)14-15-6-3-4-7-18(15)20(22,23)24/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3
InChIKeyXQERUNHZFHLWDJ-UHFFFAOYSA-N
XLogP4.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide 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

4-(4-fluoro-N-methylanilino)-N-methyl-N-[(2-propan-2-yloxyphenyl)methyl]butanamide
CID 66679983
2-(2,4-difluorophenyl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047417
(E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 134047167
2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
CID 55549814
N-methyl-2-(2-methylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047158
N-methyl-3-(1-methyltetrazol-5-yl)sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 55910481
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
4-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butan-1-ol
CID 110931579
2-amino-N-methyl-2-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120587851
4-[propan-2-yl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanoic acid
CID 60833320
N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047405
4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 90874062

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide (CID 66679315) is 4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide is CN(Cc1ccccc1C(F)(F)F)C(=O)CCCN(C)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is XQERUNHZFHLWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N2O/c1-25(17-11-9-16(21)10-12-17)13-5-8-19(27)26(2)14-15-6-3-4-7-18(15)20(22,23)24/h3-4,6-7,9-12H,5,8,13-14H2,1-2H3.
What are the key properties of 4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 382.40 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 66679315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).