N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide

C12H16FN3O — CID 62660100

IUPACN-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide
SMILESCN(CC1CC1)C(=O)c1cccc(F)c1NN
InChIInChI=1S/C12H16FN3O/c1-16(7-8-5-6-8)12(17)9-3-2-4-10(13)11(9)15-14/h2-4,8,15H,5-7,14H2,1H3
InChIKeyPWVAMJUEIBVVSR-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.59
Rot. Bonds4

About N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide

N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide (PubChem CID 62660100) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide
PubChem CID62660100
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC NameN-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide
SMILESCN(CC1CC1)C(=O)c1cccc(F)c1NN
InChIInChI=1S/C12H16FN3O/c1-16(7-8-5-6-8)12(17)9-3-2-4-10(13)11(9)15-14/h2-4,8,15H,5-7,14H2,1H3
InChIKeyPWVAMJUEIBVVSR-UHFFFAOYSA-N
XLogP1.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
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-(cyclobutylmethyl)-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62856801
N-cyclopropyl-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62662193
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
3-fluoro-2-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 79865248
3-fluoro-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102636872
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzamide
CID 63656583
N-(cyclopropylmethyl)-2-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62235862
3-fluoro-2-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)benzamide
CID 62661130
N-(cyclopentylmethyl)-3,5-difluoro-4-hydrazinyl-N-methylbenzamide
CID 63656584
N-[(3-bromocyclobutyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 80672115
3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 62660266
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide (CID 62660100) is N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide is CN(CC1CC1)C(=O)c1cccc(F)c1NN.
What is the InChIKey of N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide?
The InChIKey is PWVAMJUEIBVVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-16(7-8-5-6-8)12(17)9-3-2-4-10(13)11(9)15-14/h2-4,8,15H,5-7,14H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide?
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide has a molecular weight of 237.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide is sourced from PubChem (CID 62660100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).