N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide

C20H18F3N3O3 — CID 18269145

IUPACN'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C20H18F3N3O3/c21-20(22,23)12-29-11-13-5-7-14(8-6-13)19(28)26-25-18(27)9-15-10-24-17-4-2-1-3-16(15)17/h1-8,10,24H,9,11-12H2,(H,25,27)(H,26,28)
InChIKeyQPICTEKRYUAGRX-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.25
Rot. Bonds6

About N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide

N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide (PubChem CID 18269145) has the molecular formula C20H18F3N3O3 and a molecular weight of 405.38 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
PubChem CID18269145
Molecular FormulaC20H18F3N3O3
Molecular Weight405.38 g/mol
Exact Mass405.13
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C20H18F3N3O3/c21-20(22,23)12-29-11-13-5-7-14(8-6-13)19(28)26-25-18(27)9-15-10-24-17-4-2-1-3-16(15)17/h1-8,10,24H,9,11-12H2,(H,25,27)(H,26,28)
InChIKeyQPICTEKRYUAGRX-UHFFFAOYSA-N
XLogP3.25
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
N'-[2-(1H-indol-3-yl)acetyl]-2-(trifluoromethyl)benzohydrazide
CID 32742935
N'-[2-(1H-indol-3-yl)acetyl]naphthalene-2-carbohydrazide
CID 31828968
2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 20969118
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
4-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]benzoic acid
CID 71900120
N'-[2-(1H-indol-3-yl)acetyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 36759070
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 119109923
4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2088419

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide (CID 18269145) is N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
The InChIKey is QPICTEKRYUAGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3/c21-20(22,23)12-29-11-13-5-7-14(8-6-13)19(28)26-25-18(27)9-15-10-24-17-4-2-1-3-16(15)17/h1-8,10,24H,9,11-12H2,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide has a molecular weight of 405.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide is sourced from PubChem (CID 18269145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).