4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide

C14H20F3N3O — CID 62241747

IUPAC4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCC(C)CC(C)NC(=O)c1ccc(NN)c(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N3O/c1-8(2)6-9(3)19-13(21)10-4-5-12(20-18)11(7-10)14(15,16)17/h4-5,7-9,20H,6,18H2,1-3H3,(H,19,21)
InChIKeyLMCOFMVVUGYXCB-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.16
Rot. Bonds5

About 4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide

4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 62241747) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID62241747
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCC(C)CC(C)NC(=O)c1ccc(NN)c(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N3O/c1-8(2)6-9(3)19-13(21)10-4-5-12(20-18)11(7-10)14(15,16)17/h4-5,7-9,20H,6,18H2,1-3H3,(H,19,21)
InChIKeyLMCOFMVVUGYXCB-UHFFFAOYSA-N
XLogP3.16
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.16
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-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62155637
N-[2-(dimethylamino)propyl]-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62247665
4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 62234841
N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62241359
4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide
CID 107074043
N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62241169
2-hydrazinyl-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 62241746
4-bromo-N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180672
4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide
CID 62199911
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
4-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)benzamide
CID 62236816
4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide (CID 62241747) is 4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide is CC(C)CC(C)NC(=O)c1ccc(NN)c(C(F)(F)F)c1.
What is the InChIKey of 4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is LMCOFMVVUGYXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-8(2)6-9(3)19-13(21)10-4-5-12(20-18)11(7-10)14(15,16)17/h4-5,7-9,20H,6,18H2,1-3H3,(H,19,21).
What are the key properties of 4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide?
4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 303.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62241747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).