5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide

C14H18F2N2O — CID 61102915

IUPAC5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide
SMILESNc1cc(C(=O)NCCC2CCCC2)c(F)cc1F
InChIInChI=1S/C14H18F2N2O/c15-11-8-12(16)13(17)7-10(11)14(19)18-6-5-9-3-1-2-4-9/h7-9H,1-6,17H2,(H,18,19)
InChIKeyHPLLYTMCAYAWLF-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.86
Rot. Bonds4

About 5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide

5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide (PubChem CID 61102915) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide
PubChem CID61102915
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide
SMILESNc1cc(C(=O)NCCC2CCCC2)c(F)cc1F
InChIInChI=1S/C14H18F2N2O/c15-11-8-12(16)13(17)7-10(11)14(19)18-6-5-9-3-1-2-4-9/h7-9H,1-6,17H2,(H,18,19)
InChIKeyHPLLYTMCAYAWLF-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.86
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

4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
CID 62680038
5-amino-N-cyclopentyl-2,4-difluorobenzamide
CID 61091643
N-(2-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050
2-amino-N-(3-cyclopentylpropyl)-4-fluorobenzamide
CID 106006269
4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide
CID 106006332
2-amino-N-(2-cyclopentylethyl)-5-methylbenzamide
CID 62073408
N-(3-cyclopentylpropyl)-2-fluoro-4-hydroxybenzamide
CID 103940047
5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide
CID 61094642
5-amino-2,4-difluoro-N-(thiolan-2-ylmethyl)benzamide
CID 80583719
4-amino-N-(2-cyclopentylethyl)-6-methylpyridine-3-carboxamide
CID 81243330
5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245
3,5-diamino-N-(2-cyclohexylethyl)benzamide
CID 61103497

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide?
The IUPAC name of 5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide (CID 61102915) is 5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide.
What is the SMILES notation for 5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide?
The canonical SMILES for 5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide is Nc1cc(C(=O)NCCC2CCCC2)c(F)cc1F.
What is the InChIKey of 5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide?
The InChIKey is HPLLYTMCAYAWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-11-8-12(16)13(17)7-10(11)14(19)18-6-5-9-3-1-2-4-9/h7-9H,1-6,17H2,(H,18,19).
What are the key properties of 5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide?
5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide has a molecular weight of 268.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyclopentylethyl)-2,4-difluorobenzamide is sourced from PubChem (CID 61102915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).