2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide

C12H14F3N3O — CID 113486012

IUPAC2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide
SMILESCC1(NC(=O)c2cc(C(F)(F)F)ccc2NN)CC1
InChIInChI=1S/C12H14F3N3O/c1-11(4-5-11)17-10(19)8-6-7(12(13,14)15)2-3-9(8)18-16/h2-3,6,18H,4-5,16H2,1H3,(H,17,19)
InChIKeyQKSRFPOTVRPKDZ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.27
Rot. Bonds3

About 2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide

2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide (PubChem CID 113486012) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide
PubChem CID113486012
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide
SMILESCC1(NC(=O)c2cc(C(F)(F)F)ccc2NN)CC1
InChIInChI=1S/C12H14F3N3O/c1-11(4-5-11)17-10(19)8-6-7(12(13,14)15)2-3-9(8)18-16/h2-3,6,18H,4-5,16H2,1H3,(H,17,19)
InChIKeyQKSRFPOTVRPKDZ-UHFFFAOYSA-N
XLogP2.27
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.27
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-(4-fluoro-1-bicyclo[2.2.2]octanyl)-2-(methylsulfanylamino)-5-(trifluoromethyl)benzamide
CID 170190452
5-chloro-2-hydrazinyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218313
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
N-(4-cyano-1-bicyclo[2.2.1]heptanyl)-2-(methanesulfonamido)-5-(trifluoromethyl)benzamide
CID 150330074
N-(1-ethylcyclobutyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 115697230
2-chloro-N-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]-1-methylcyclohexyl]-5-(trifluoromethyl)benzamide
CID 90979840
3-hydrazinyl-N-(1-methylcyclobutyl)pyridine-4-carboxamide
CID 105072481
4-bromo-N-(1-methylcyclopropyl)-3-(trifluoromethyl)benzamide
CID 113264596
5-fluoro-2-hydroxy-N-(1-methylcyclopropyl)benzamide
CID 115883770
2-[(2,2-dimethylcyclopentyl)amino]-5-(trifluoromethyl)benzoic acid
CID 79870871
3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide
CID 105072489
N-(1-bicyclo[1.1.1]pentanyl)-2-[(1-methylcyclopropyl)sulfonylamino]-4-(trifluoromethyl)benzamide
CID 153282084

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide (CID 113486012) is 2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide is CC1(NC(=O)c2cc(C(F)(F)F)ccc2NN)CC1.
What is the InChIKey of 2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide?
The InChIKey is QKSRFPOTVRPKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-11(4-5-11)17-10(19)8-6-7(12(13,14)15)2-3-9(8)18-16/h2-3,6,18H,4-5,16H2,1H3,(H,17,19).
What are the key properties of 2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide?
2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide has a molecular weight of 273.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1-methylcyclopropyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 113486012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).