N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide

C14H19F2N3O — CID 79873342

IUPACN-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESCC1(C)CCCC1NC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C14H19F2N3O/c1-14(2)5-3-4-11(14)18-13(20)8-6-9(15)12(19-17)10(16)7-8/h6-7,11,19H,3-5,17H2,1-2H3,(H,18,20)
InChIKeyKDONAPCPKRMKPL-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.56
Rot. Bonds3

About N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide

N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide (PubChem CID 79873342) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide
PubChem CID79873342
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC NameN-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESCC1(C)CCCC1NC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C14H19F2N3O/c1-14(2)5-3-4-11(14)18-13(20)8-6-9(15)12(19-17)10(16)7-8/h6-7,11,19H,3-5,17H2,1-2H3,(H,18,20)
InChIKeyKDONAPCPKRMKPL-UHFFFAOYSA-N
XLogP2.56
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylcyclohexyl)-3,5-difluoro-4-(methylamino)benzamide
CID 79870125
4-amino-N-(2,2-dimethylcyclohexyl)-3,5-difluorobenzamide
CID 79872681
3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide
CID 79855552
N-(2,2-dimethylcyclopentyl)-6-hydrazinylpyridine-3-carboxamide
CID 79872506
N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
CID 79833930
N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79878341
3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid
CID 79872488
N-(2,2-dimethylcyclohexyl)-3-fluoro-4-nitrobenzamide
CID 79869888
3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide
CID 79855162
N-(2,2-dimethylcyclopentyl)-4-hydrazinyl-3-nitrobenzamide
CID 79870740
3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide
CID 79856078
3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide
CID 82737326

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide (CID 79873342) is N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide is CC1(C)CCCC1NC(=O)c1cc(F)c(NN)c(F)c1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide?
The InChIKey is KDONAPCPKRMKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-14(2)5-3-4-11(14)18-13(20)8-6-9(15)12(19-17)10(16)7-8/h6-7,11,19H,3-5,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide?
N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide has a molecular weight of 283.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-3,5-difluoro-4-hydrazinylbenzamide is sourced from PubChem (CID 79873342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).