N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide

C18H14F3N3O2 — CID 32742935

IUPACN'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)14-7-3-1-6-13(14)17(26)24-23-16(25)9-11-10-22-15-8-4-2-5-12(11)15/h1-8,10,22H,9H2,(H,23,25)(H,24,26)
InChIKeyBMVQIWOVSRXIBV-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.19
Rot. Bonds3

About N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide

N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide (PubChem CID 32742935) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide
PubChem CID32742935
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)14-7-3-1-6-13(14)17(26)24-23-16(25)9-11-10-22-15-8-4-2-5-12(11)15/h1-8,10,22H,9H2,(H,23,25)(H,24,26)
InChIKeyBMVQIWOVSRXIBV-UHFFFAOYSA-N
XLogP3.19
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 20969118
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
CID 31828855
N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide
CID 24517687
N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 18269145
N'-[2-(1H-indol-3-yl)acetyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 36759070
N'-[2-(1H-indol-3-yl)acetyl]-1,2-dihydroacenaphthylene-5-carbohydrazide
CID 24559782
N'-[2-(1H-indol-3-yl)acetyl]-2-phenoxypyridine-3-carbohydrazide
CID 31800805
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
N'-[2-(1H-indol-3-yl)acetyl]-1-benzothiophene-2-carbohydrazide
CID 32754732
N'-[2-(1H-indol-3-yl)acetyl]-2,4-dimethoxybenzohydrazide
CID 51166893
6-chloro-N'-[2-(1H-indol-3-yl)acetyl]quinoline-8-carbohydrazide
CID 55881068

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide (CID 32742935) is N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide?
The InChIKey is BMVQIWOVSRXIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)14-7-3-1-6-13(14)17(26)24-23-16(25)9-11-10-22-15-8-4-2-5-12(11)15/h1-8,10,22H,9H2,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide has a molecular weight of 361.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 32742935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).