N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide

C16H18F2N2O2 — CID 59290522

IUPACN-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
SMILESC#CCOc1c(F)cc(C(=O)NC2CCCCC2N)cc1F
InChIInChI=1S/C16H18F2N2O2/c1-2-7-22-15-11(17)8-10(9-12(15)18)16(21)20-14-6-4-3-5-13(14)19/h1,8-9,13-14H,3-7,19H2,(H,20,21)
InChIKeyBHJDWSMJISTHOE-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.98
Rot. Bonds4

About N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide

N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide (PubChem CID 59290522) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
PubChem CID59290522
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC NameN-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
SMILESC#CCOc1c(F)cc(C(=O)NC2CCCCC2N)cc1F
InChIInChI=1S/C16H18F2N2O2/c1-2-7-22-15-11(17)8-10(9-12(15)18)16(21)20-14-6-4-3-5-13(14)19/h1,8-9,13-14H,3-7,19H2,(H,20,21)
InChIKeyBHJDWSMJISTHOE-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide 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

3,5-difluoro-N-[(1R,2S)-2-methylcyclohexyl]-4-prop-2-ynoxybenzamide
CID 87640430
N-cyclohexyl-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 57445697
[2-[(3,5-difluoro-4-prop-2-ynoxybenzoyl)amino]cyclohexyl] acetate
CID 59290537
N-(cyclopentylmethyl)-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 57445704
N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide
CID 63258010
N-(2-aminocyclohexyl)-3-fluoro-4-methylbenzamide
CID 61038354
N-[(1R,2R)-2-aminocyclohexyl]-4-chloro-3-fluorobenzamide
CID 114024825
N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445692
3,5-difluoro-N-[1-(hydroxymethyl)cyclohexyl]-4-prop-2-ynoxybenzamide
CID 87365069
N-[(1-cyanocyclohexyl)methyl]-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 87366928
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
N-(cyclohexylmethyl)-3-fluoro-5-nitro-4-prop-2-ynoxybenzamide
CID 59243696

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide?
The IUPAC name of N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide (CID 59290522) is N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide is C#CCOc1c(F)cc(C(=O)NC2CCCCC2N)cc1F.
What is the InChIKey of N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide?
The InChIKey is BHJDWSMJISTHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c1-2-7-22-15-11(17)8-10(9-12(15)18)16(21)20-14-6-4-3-5-13(14)19/h1,8-9,13-14H,3-7,19H2,(H,20,21).
What are the key properties of N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide?
N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide has a molecular weight of 308.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-3,5-difluoro-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 59290522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).