N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide

C14H22FN3O — CID 55258868

IUPACN-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide
SMILESCCC(CC)C(C)NC(=O)c1cccc(F)c1NN
InChIInChI=1S/C14H22FN3O/c1-4-10(5-2)9(3)17-14(19)11-7-6-8-12(15)13(11)18-16/h6-10,18H,4-5,16H2,1-3H3,(H,17,19)
InChIKeyHGVCATACRSQWNA-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.67
Rot. Bonds6

About N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide

N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide (PubChem CID 55258868) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide
PubChem CID55258868
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide
SMILESCCC(CC)C(C)NC(=O)c1cccc(F)c1NN
InChIInChI=1S/C14H22FN3O/c1-4-10(5-2)9(3)17-14(19)11-7-6-8-12(15)13(11)18-16/h6-10,18H,4-5,16H2,1-3H3,(H,17,19)
InChIKeyHGVCATACRSQWNA-UHFFFAOYSA-N
XLogP2.67
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.67
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

3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide
CID 64604122
N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide
CID 63996800
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide
CID 62660456
2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
CID 62660589
5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide
CID 63843251
3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide
CID 62661471
N-(3-ethylpentan-2-yl)-2-fluoro-5-methylbenzamide
CID 55260574
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661470
2-amino-N-(3-ethylpentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 105386392
3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
CID 55101629
2-amino-N-(3-ethylpentan-2-yl)-3-nitrobenzamide
CID 115679021
3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106040313

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide (CID 55258868) is N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide is CCC(CC)C(C)NC(=O)c1cccc(F)c1NN.
What is the InChIKey of N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide?
The InChIKey is HGVCATACRSQWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-10(5-2)9(3)17-14(19)11-7-6-8-12(15)13(11)18-16/h6-10,18H,4-5,16H2,1-3H3,(H,17,19).
What are the key properties of N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide?
N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide has a molecular weight of 267.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide is sourced from PubChem (CID 55258868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).