2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

C12H16F3N3O — CID 62235512

IUPAC2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccccc1NN
InChIInChI=1S/C12H16F3N3O/c1-8(2)18(7-12(13,14)15)11(19)9-5-3-4-6-10(9)17-16/h3-6,8,17H,7,16H2,1-2H3
InChIKeyDEXVQGYBPRJMJY-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.39
Rot. Bonds4

About 2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 62235512) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID62235512
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1ccccc1NN
InChIInChI=1S/C12H16F3N3O/c1-8(2)18(7-12(13,14)15)11(19)9-5-3-4-6-10(9)17-16/h3-6,8,17H,7,16H2,1-2H3
InChIKeyDEXVQGYBPRJMJY-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.39
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

2-hydrazinyl-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 62242767
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960932
6-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 62238082
N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 55177472
2-hydrazinyl-N,N-bis(3-methylbutyl)benzamide
CID 107871087
3-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55009007
2,6-dichloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 113228638
5-amino-2,4-difluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 61109258
5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62180458
N-butan-2-yl-2-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62249354
N-cyclopropyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 63108556
4-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009058

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide (CID 62235512) is 2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is CC(C)N(CC(F)(F)F)C(=O)c1ccccc1NN.
What is the InChIKey of 2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DEXVQGYBPRJMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-8(2)18(7-12(13,14)15)11(19)9-5-3-4-6-10(9)17-16/h3-6,8,17H,7,16H2,1-2H3.
What are the key properties of 2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide?
2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 62235512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).