2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C15H17F4N3O2 — CID 71868036

IUPAC2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CNC(=O)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C15H17F4N3O2/c1-22(9-15(17,18)19)12(23)8-20-13(24)21-14(5-6-14)10-3-2-4-11(16)7-10/h2-4,7H,5-6,8-9H2,1H3,(H2,20,21,24)
InChIKeyQZPLUVYZMMNVJO-UHFFFAOYSA-N
MW347.31 g/mol
LogP2.13
Rot. Bonds5

About 2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71868036) has the molecular formula C15H17F4N3O2 and a molecular weight of 347.31 g/mol. Its IUPAC name is 2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71868036
Molecular FormulaC15H17F4N3O2
Molecular Weight347.31 g/mol
Exact Mass347.13
IUPAC Name2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CNC(=O)NC1(c2cccc(F)c2)CC1
InChIInChI=1S/C15H17F4N3O2/c1-22(9-15(17,18)19)12(23)8-20-13(24)21-14(5-6-14)10-3-2-4-11(16)7-10/h2-4,7H,5-6,8-9H2,1H3,(H2,20,21,24)
InChIKeyQZPLUVYZMMNVJO-UHFFFAOYSA-N
XLogP2.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
CID 24969353
N-cyclopentyl-2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4204383
N-cyclopentyl-2-[3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4205522
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 5034100
US10285989, Example 109
CID 145996188
US10285989, Example 129
CID 145996202
US10285989, Example 174
CID 145996242
4-(2-amino-2-oxoethyl)-N-[1-(3-isopropenylphenyl)-1-methylethyl]-1-piperazinecarboxamide
CID 753260
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3245977
N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
CID 16102899
N-cyclopropyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 16298716
(S)-2-(3-(2,2-difluoroethylamino)propyl)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2H-pyrrole-1(5H)-carboxamide
CID 44430575

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 71868036) is 2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CNC(=O)NC1(c2cccc(F)c2)CC1.
What is the InChIKey of 2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QZPLUVYZMMNVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N3O2/c1-22(9-15(17,18)19)12(23)8-20-13(24)21-14(5-6-14)10-3-2-4-11(16)7-10/h2-4,7H,5-6,8-9H2,1H3,(H2,20,21,24).
What are the key properties of 2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 347.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71868036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).