5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide

C16H24F2N2O — CID 144605395

IUPAC5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide
SMILESCCC(CCC(F)F)NC(=O)C1=CC=CC(C2CC2N)C1
InChIInChI=1S/C16H24F2N2O/c1-2-12(6-7-15(17)18)20-16(21)11-5-3-4-10(8-11)13-9-14(13)19/h3-5,10,12-15H,2,6-9,19H2,1H3,(H,20,21)
InChIKeyGUUMZSKISKKZGI-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.78
Rot. Bonds7

About 5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide

5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 144605395) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is 5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID144605395
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide
SMILESCCC(CCC(F)F)NC(=O)C1=CC=CC(C2CC2N)C1
InChIInChI=1S/C16H24F2N2O/c1-2-12(6-7-15(17)18)20-16(21)11-5-3-4-10(8-11)13-9-14(13)19/h3-5,10,12-15H,2,6-9,19H2,1H3,(H,20,21)
InChIKeyGUUMZSKISKKZGI-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide (CID 144605395) is 5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide is CCC(CCC(F)F)NC(=O)C1=CC=CC(C2CC2N)C1.
What is the InChIKey of 5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is GUUMZSKISKKZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-2-12(6-7-15(17)18)20-16(21)11-5-3-4-10(8-11)13-9-14(13)19/h3-5,10,12-15H,2,6-9,19H2,1H3,(H,20,21).
What are the key properties of 5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide?
5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 298.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 144605395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).