N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide

C11H14FN3O — CID 62660969

IUPACN-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
SMILESNNc1c(F)cccc1C(=O)NCC1CC1
InChIInChI=1S/C11H14FN3O/c12-9-3-1-2-8(10(9)15-13)11(16)14-6-7-4-5-7/h1-3,7,15H,4-6,13H2,(H,14,16)
InChIKeyXYNQUWUTHITJCL-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.25
Rot. Bonds4

About N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide

N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide (PubChem CID 62660969) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
PubChem CID62660969
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC NameN-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
SMILESNNc1c(F)cccc1C(=O)NCC1CC1
InChIInChI=1S/C11H14FN3O/c12-9-3-1-2-8(10(9)15-13)11(16)14-6-7-4-5-7/h1-3,7,15H,4-6,13H2,(H,14,16)
InChIKeyXYNQUWUTHITJCL-UHFFFAOYSA-N
XLogP1.25
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.25
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-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827
3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide
CID 62824048
3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 62660266
N-(cyclopentylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62660297
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
N-(2-cyclohexyloxyethyl)-3-fluoro-2-hydrazinylbenzamide
CID 63833449
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
N-(cyclopentylmethyl)-2,3-difluorobenzamide
CID 62649354
N-(cyclohexylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62661338
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62660100
3-fluoro-2-(methylamino)-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661754
N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide
CID 63996800

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide (CID 62660969) is N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide is NNc1c(F)cccc1C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide?
The InChIKey is XYNQUWUTHITJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-9-3-1-2-8(10(9)15-13)11(16)14-6-7-4-5-7/h1-3,7,15H,4-6,13H2,(H,14,16).
What are the key properties of N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide?
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide has a molecular weight of 223.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide is sourced from PubChem (CID 62660969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).