2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide

C18H15F3N2O2 — CID 9220913

IUPAC2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O2/c1-12-5-2-3-8-15(12)17(25)23-22-16(24)10-9-13-6-4-7-14(11-13)18(19,20)21/h2-11H,1H3,(H,22,24)(H,23,25)/b10-9+
InChIKeyDIGYRMBJECTFLB-MDZDMXLPSA-N
MW348.32 g/mol
LogP3.49
Rot. Bonds3

About 2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide

2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide (PubChem CID 9220913) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
PubChem CID9220913
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O2/c1-12-5-2-3-8-15(12)17(25)23-22-16(24)10-9-13-6-4-7-14(11-13)18(19,20)21/h2-11H,1H3,(H,22,24)(H,23,25)/b10-9+
InChIKeyDIGYRMBJECTFLB-MDZDMXLPSA-N
XLogP3.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.49
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

N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875130
(E)-N-(2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875131
N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 9220813
2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4924395
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 923611
3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide
CID 24645614
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
(E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide
CID 26840117
N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 2539402
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5314584
(4-tert-butylphenyl)methyl N-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]carbamate
CID 45109075
(2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide
CID 7910893

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide (CID 9220913) is 2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide is Cc1ccccc1C(=O)NNC(=O)/C=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide?
The InChIKey is DIGYRMBJECTFLB-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-12-5-2-3-8-15(12)17(25)23-22-16(24)10-9-13-6-4-7-14(11-13)18(19,20)21/h2-11H,1H3,(H,22,24)(H,23,25)/b10-9+.
What are the key properties of 2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide?
2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide has a molecular weight of 348.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 9220913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).