3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide

C12H18FN3O — CID 62661471

IUPAC3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1cccc(F)c1NN
InChIInChI=1S/C12H18FN3O/c1-4-12(2,3)15-11(17)8-6-5-7-9(13)10(8)16-14/h5-7,16H,4,14H2,1-3H3,(H,15,17)
InChIKeyIDEPDGREVXLOKH-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.03
Rot. Bonds4

About 3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide

3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide (PubChem CID 62661471) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide
PubChem CID62661471
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1cccc(F)c1NN
InChIInChI=1S/C12H18FN3O/c1-4-12(2,3)15-11(17)8-6-5-7-9(13)10(8)16-14/h5-7,16H,4,14H2,1-3H3,(H,15,17)
InChIKeyIDEPDGREVXLOKH-UHFFFAOYSA-N
XLogP2.03
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.03
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-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(ethylamino)-3-fluorobenzamide
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3-fluoro-2-hydrazinylbenzoic acid
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CID 106340868
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide
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2-bromo-N-(2-methylbutan-2-yl)benzamide
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2-amino-3-fluoro-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
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N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
2-(ethylamino)-3-fluoro-N-(2,2,2-trifluoroethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide (CID 62661471) is 3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1cccc(F)c1NN.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is IDEPDGREVXLOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-4-12(2,3)15-11(17)8-6-5-7-9(13)10(8)16-14/h5-7,16H,4,14H2,1-3H3,(H,15,17).
What are the key properties of 3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide?
3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 239.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 62661471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).