3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide

C14H15F3N2O — CID 71889641

IUPAC3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide
SMILESCC(=CC(=O)NNc1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C14H15F3N2O/c1-9(10-6-7-10)8-13(20)19-18-12-5-3-2-4-11(12)14(15,16)17/h2-5,8,10,18H,6-7H2,1H3,(H,19,20)
InChIKeySUWSRELTXWGQSQ-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.50
Rot. Bonds4

About 3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide

3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide (PubChem CID 71889641) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide.

Molecular Properties

Compound Name3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide
PubChem CID71889641
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide
SMILESCC(=CC(=O)NNc1ccccc1C(F)(F)F)C1CC1
InChIInChI=1S/C14H15F3N2O/c1-9(10-6-7-10)8-13(20)19-18-12-5-3-2-4-11(12)14(15,16)17/h2-5,8,10,18H,6-7H2,1H3,(H,19,20)
InChIKeySUWSRELTXWGQSQ-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(trifluoromethyl)anilino]urea
CID 141255172
(E)-3-cyclopentyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]but-2-enamide
CID 108934358
1-(cyclopropanecarbonylamino)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 2730250
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
(3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
CID 39982573
N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 2811204
3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549795
[2-(trifluoromethyl)anilino]thiourea
CID 54297907
4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
CID 55831849
(E)-N-cyclopropyl-3-[2-(trifluoromethyl)phenyl]but-2-enamide
CID 67893783
N'-[(E)-3-cyclopropylbut-2-enoyl]-5-methylthiophene-2-carbohydrazide
CID 99840994
(2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide
CID 96517757

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide?
The IUPAC name of 3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide (CID 71889641) is 3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide.
What is the SMILES notation for 3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide?
The canonical SMILES for 3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide is CC(=CC(=O)NNc1ccccc1C(F)(F)F)C1CC1.
What is the InChIKey of 3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide?
The InChIKey is SUWSRELTXWGQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-9(10-6-7-10)8-13(20)19-18-12-5-3-2-4-11(12)14(15,16)17/h2-5,8,10,18H,6-7H2,1H3,(H,19,20).
What are the key properties of 3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide?
3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide has a molecular weight of 284.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N'-[2-(trifluoromethyl)phenyl]but-2-enehydrazide is sourced from PubChem (CID 71889641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).