N-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide

C8H11F3N2O2 — CID 134320715

IUPACN-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide
SMILESCNC(=O)C1CC1CNC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-12-6(14)5-2-4(5)3-13-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,14)(H,13,15)
InChIKeyNBYVJBQNGASZAL-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.30
Rot. Bonds3

About N-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide

N-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide (PubChem CID 134320715) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is N-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide
PubChem CID134320715
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC NameN-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide
SMILESCNC(=O)C1CC1CNC(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-12-6(14)5-2-4(5)3-13-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,14)(H,13,15)
InChIKeyNBYVJBQNGASZAL-UHFFFAOYSA-N
XLogP0.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity278

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[cyclopropylmethyl(2,2,2-trifluoroethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 72106188
N-methyl-2-[(3R)-1-(4,4,4-trifluorobutanoyl)pyrrolidin-3-yl]acetamide
CID 129610500
(1R)-N-(cyclobutylmethyl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide
CID 164636299
N-(2-cyclopropylethyl)-3,3,3-trifluoropropanamide
CID 21916204
N-(3-aminopropyl)-2,2-difluoro-4-methylpentanamide
CID 57700646
2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 58395131
2-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 65978619
N-(2,2,2-Trifluoroethyl)-4-methylpentanamide
CID 87415484
(3S)-3-methyl-N'-(2,2,2-trifluoroethyl)pentanediamide
CID 89525623
2-(2,2-difluorocyclopropyl)-N-propan-2-ylacetamide
CID 129257449
2-(2,2-difluorocyclopropyl)-N-ethylacetamide
CID 129280946
2-cyclopropyl-N-(2,2-difluoroethyl)acetamide
CID 131204641

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide?
The IUPAC name of N-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide (CID 134320715) is N-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide is CNC(=O)C1CC1CNC(=O)C(F)(F)F.
What is the InChIKey of N-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide?
The InChIKey is NBYVJBQNGASZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-12-6(14)5-2-4(5)3-13-7(15)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide?
N-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide has a molecular weight of 224.18 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134320715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).