methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide

C15H18F3N3O3 — CID 164525025

IUPACmethanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide
SMILESCO.N/C(=N\C(=O)C(F)(F)F)c1ccc(CNC(=O)C2CC2)cc1
InChIInChI=1S/C14H14F3N3O2.CH4O/c15-14(16,17)13(22)20-11(18)9-3-1-8(2-4-9)7-19-12(21)10-5-6-10;1-2/h1-4,10H,5-7H2,(H,19,21)(H2,18,20,22);2H,1H3
InChIKeyUWJMJBWFKUFMMS-UHFFFAOYSA-N
MW345.32 g/mol
LogP1.12
Rot. Bonds4

About methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide

methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 164525025) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound Namemethanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID164525025
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Namemethanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide
SMILESCO.N/C(=N\C(=O)C(F)(F)F)c1ccc(CNC(=O)C2CC2)cc1
InChIInChI=1S/C14H14F3N3O2.CH4O/c15-14(16,17)13(22)20-11(18)9-3-1-8(2-4-9)7-19-12(21)10-5-6-10;1-2/h1-4,10H,5-7H2,(H,19,21)(H2,18,20,22);2H,1H3
InChIKeyUWJMJBWFKUFMMS-UHFFFAOYSA-N
XLogP1.12
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide 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

2,2,2-trifluoro-N-[(1S)-1-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]ethyl]acetamide
CID 58507062
2,2,2-trifluoro-N-[(1S)-1-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propyl]acetamide
CID 58507091
2,2,2-trifluoro-N-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]ethyl]acetamide
CID 76807685
2,2,2-trifluoro-N-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]propyl]acetamide
CID 76807694
(S)-2,2,2-trifluoro-N-(1-(4-(N'-hydroxycarbamimidoyl)phenyl)propyl)ethanamide
CID 86659164
(S)-2,2,2-trifluoro-N-(1-(4-(N'-hydroxycarbamimidoyl)phenyl)ethyl)ethanamide
CID 86659165
2,2,2-trifluoro-N-[(1S)-1-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]ethyl]acetamide
CID 87226633
2,2,2-trifluoro-N-[(1S)-1-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]propyl]acetamide
CID 87226636
N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide
CID 139469215
N-methyl-N-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 139473687
(2E)-penta-2,4-diene-2-thiol;2-[4-(trifluoromethyl)phenyl]-4,5,6,7,8,9-hexahydro-1H-1,3,6-triazecin-10-one;dihydrate
CID 144081741
2,2,2-trifluoro-N-[(1S)-1-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylbutyl]acetamide
CID 146250243

Frequently Asked Questions

What is the IUPAC name of methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide (CID 164525025) is methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide is CO.N/C(=N\C(=O)C(F)(F)F)c1ccc(CNC(=O)C2CC2)cc1.
What is the InChIKey of methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is UWJMJBWFKUFMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2.CH4O/c15-14(16,17)13(22)20-11(18)9-3-1-8(2-4-9)7-19-12(21)10-5-6-10;1-2/h1-4,10H,5-7H2,(H,19,21)(H2,18,20,22);2H,1H3.
What are the key properties of methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide?
methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 345.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;N-[[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 164525025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).