N-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide

C21H22F4N2O — CID 167073264

IUPACN-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide
SMILESCN(CCc1cccc(C(F)(F)F)c1)CC(=O)Nc1ccc(C2CC2)c(F)c1
InChIInChI=1S/C21H22F4N2O/c1-27(10-9-14-3-2-4-16(11-14)21(23,24)25)13-20(28)26-17-7-8-18(15-5-6-15)19(22)12-17/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,26,28)
InChIKeySTNKZMXTBHOXAR-UHFFFAOYSA-N
MW394.41 g/mol
LogP4.83
Rot. Bonds7

About N-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide

N-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide (PubChem CID 167073264) has the molecular formula C21H22F4N2O and a molecular weight of 394.41 g/mol. Its IUPAC name is N-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide
PubChem CID167073264
Molecular FormulaC21H22F4N2O
Molecular Weight394.41 g/mol
Exact Mass394.17
IUPAC NameN-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide
SMILESCN(CCc1cccc(C(F)(F)F)c1)CC(=O)Nc1ccc(C2CC2)c(F)c1
InChIInChI=1S/C21H22F4N2O/c1-27(10-9-14-3-2-4-16(11-14)21(23,24)25)13-20(28)26-17-7-8-18(15-5-6-15)19(22)12-17/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,26,28)
InChIKeySTNKZMXTBHOXAR-UHFFFAOYSA-N
XLogP4.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679
2-[methylsulfonyl(2-phenylethyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7354154
N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 13478469
5-chloro-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-2-(ethylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 68699676
2-[(4-methoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8761296
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18272443
2-[cyclopentyl(methylsulfonyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113148963
3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27152993
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698870
2-[cyclohexyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1132545
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide?
The IUPAC name of N-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide (CID 167073264) is N-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide.
What is the SMILES notation for N-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide?
The canonical SMILES for N-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide is CN(CCc1cccc(C(F)(F)F)c1)CC(=O)Nc1ccc(C2CC2)c(F)c1.
What is the InChIKey of N-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide?
The InChIKey is STNKZMXTBHOXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N2O/c1-27(10-9-14-3-2-4-16(11-14)21(23,24)25)13-20(28)26-17-7-8-18(15-5-6-15)19(22)12-17/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,26,28).
What are the key properties of N-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide?
N-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide has a molecular weight of 394.41 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-3-fluorophenyl)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]acetamide is sourced from PubChem (CID 167073264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).