N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide

C14H20FN3O — CID 63996800

IUPACN-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide
SMILESCCC(CC1CC1)NC(=O)c1cccc(F)c1NN
InChIInChI=1S/C14H20FN3O/c1-2-10(8-9-6-7-9)17-14(19)11-4-3-5-12(15)13(11)18-16/h3-5,9-10,18H,2,6-8,16H2,1H3,(H,17,19)
InChIKeyJEBCDAMPNVVLMM-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.42
Rot. Bonds6

About N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide

N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide (PubChem CID 63996800) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide
PubChem CID63996800
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide
SMILESCCC(CC1CC1)NC(=O)c1cccc(F)c1NN
InChIInChI=1S/C14H20FN3O/c1-2-10(8-9-6-7-9)17-14(19)11-4-3-5-12(15)13(11)18-16/h3-5,9-10,18H,2,6-8,16H2,1H3,(H,17,19)
InChIKeyJEBCDAMPNVVLMM-UHFFFAOYSA-N
XLogP2.42
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.42
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

4-amino-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzamide
CID 63994432
N-(3-ethylpentan-2-yl)-3-fluoro-2-hydrazinylbenzamide
CID 55258868
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
N-(1-cyclopropylbutan-2-yl)-1H-indole-4-carboxamide
CID 63995977
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide
CID 64604122
4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide
CID 63994420
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinyl-N-methylbenzamide
CID 62660100
N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62662474
N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865517
3-fluoro-2-hydrazinyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62661827
3-fluoro-N-[1-(4-fluorophenyl)ethyl]-2-hydrazinylbenzamide
CID 62660456
3-fluoro-2-hydrazinyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 62660266

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide (CID 63996800) is N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide is CCC(CC1CC1)NC(=O)c1cccc(F)c1NN.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide?
The InChIKey is JEBCDAMPNVVLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-2-10(8-9-6-7-9)17-14(19)11-4-3-5-12(15)13(11)18-16/h3-5,9-10,18H,2,6-8,16H2,1H3,(H,17,19).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide?
N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide has a molecular weight of 265.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-3-fluoro-2-hydrazinylbenzamide is sourced from PubChem (CID 63996800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).