1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide

C21H18F3N3O2 — CID 134009766

IUPAC1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)C2CC2c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C21H18F3N3O2/c1-27-11-16(13-7-3-5-9-18(13)27)20(29)26-25-19(28)15-10-14(15)12-6-2-4-8-17(12)21(22,23)24/h2-9,11,14-15H,10H2,1H3,(H,25,28)(H,26,29)
InChIKeyIUSWRSXVGWZYTB-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.76
Rot. Bonds3

About 1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide

1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide (PubChem CID 134009766) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is 1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide
PubChem CID134009766
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC Name1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)C2CC2c2ccccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C21H18F3N3O2/c1-27-11-16(13-7-3-5-9-18(13)27)20(29)26-25-19(28)15-10-14(15)12-6-2-4-8-17(12)21(22,23)24/h2-9,11,14-15H,10H2,1H3,(H,25,28)(H,26,29)
InChIKeyIUSWRSXVGWZYTB-UHFFFAOYSA-N
XLogP3.76
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
CID 78832337
N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 78832706
(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857099
cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 97004714
N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 71899915
(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 99849440
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
cis-(1S,2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 124859937
(3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 86914418
2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289450
trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289453

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide (CID 134009766) is 1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)C2CC2c2ccccc2C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide?
The InChIKey is IUSWRSXVGWZYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c1-27-11-16(13-7-3-5-9-18(13)27)20(29)26-25-19(28)15-10-14(15)12-6-2-4-8-17(12)21(22,23)24/h2-9,11,14-15H,10H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide?
1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide has a molecular weight of 401.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide is sourced from PubChem (CID 134009766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).