3-amino-N-cyclopentyl-2,6-difluorobenzamide

C12H14F2N2O — CID 79768023

IUPAC3-amino-N-cyclopentyl-2,6-difluorobenzamide
SMILESNc1ccc(F)c(C(=O)NC2CCCC2)c1F
InChIInChI=1S/C12H14F2N2O/c13-8-5-6-9(15)11(14)10(8)12(17)16-7-3-1-2-4-7/h5-7H,1-4,15H2,(H,16,17)
InChIKeyWJCLMFRMPNOMHS-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.22
Rot. Bonds2

About 3-amino-N-cyclopentyl-2,6-difluorobenzamide

3-amino-N-cyclopentyl-2,6-difluorobenzamide (PubChem CID 79768023) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-2,6-difluorobenzamide
PubChem CID79768023
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name3-amino-N-cyclopentyl-2,6-difluorobenzamide
SMILESNc1ccc(F)c(C(=O)NC2CCCC2)c1F
InChIInChI=1S/C12H14F2N2O/c13-8-5-6-9(15)11(14)10(8)12(17)16-7-3-1-2-4-7/h5-7H,1-4,15H2,(H,16,17)
InChIKeyWJCLMFRMPNOMHS-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,6-difluoro-N-(oxan-3-yl)benzamide
CID 79773740
3-amino-N-(1,1-dioxothian-3-yl)-2,6-difluorobenzamide
CID 79773530
3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide
CID 79773246
3-amino-N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
CID 79772868
3-amino-N-(2,2-dimethyloxan-4-yl)-2,6-difluorobenzamide
CID 83027170
3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide
CID 79773809
3-amino-N-(cyclohexylmethyl)-2,6-difluorobenzamide
CID 79773789
3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79772979
2-amino-N-cyclopentyl-6-fluoro-3-nitrobenzamide
CID 107122863
3-amino-2,6-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 79773461
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79759421
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-cyclopentyl-2,6-difluorobenzamide (CID 79768023) is 3-amino-N-cyclopentyl-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-cyclopentyl-2,6-difluorobenzamide is Nc1ccc(F)c(C(=O)NC2CCCC2)c1F.
What is the InChIKey of 3-amino-N-cyclopentyl-2,6-difluorobenzamide?
The InChIKey is WJCLMFRMPNOMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-8-5-6-9(15)11(14)10(8)12(17)16-7-3-1-2-4-7/h5-7H,1-4,15H2,(H,16,17).
What are the key properties of 3-amino-N-cyclopentyl-2,6-difluorobenzamide?
3-amino-N-cyclopentyl-2,6-difluorobenzamide has a molecular weight of 240.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-2,6-difluorobenzamide is sourced from PubChem (CID 79768023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).