N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide

C21H21FN4O3 — CID 3336665

IUPACN-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)Cn1ccc2ccccc21)NCc1ccc(F)cc1
InChIInChI=1S/C21H21FN4O3/c22-17-7-5-15(6-8-17)13-23-19(27)9-10-20(28)24-25-21(29)14-26-12-11-16-3-1-2-4-18(16)26/h1-8,11-12H,9-10,13-14H2,(H,23,27)(H,24,28)(H,25,29)
InChIKeyFTGIMZWVCUGNBC-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.02
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide

N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide (PubChem CID 3336665) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide
PubChem CID3336665
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide
SMILESO=C(CCC(=O)NNC(=O)Cn1ccc2ccccc21)NCc1ccc(F)cc1
InChIInChI=1S/C21H21FN4O3/c22-17-7-5-15(6-8-17)13-23-19(27)9-10-20(28)24-25-21(29)14-26-12-11-16-3-1-2-4-18(16)26/h1-8,11-12H,9-10,13-14H2,(H,23,27)(H,24,28)(H,25,29)
InChIKeyFTGIMZWVCUGNBC-UHFFFAOYSA-N
XLogP2.02
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide 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-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
4-[(3-indol-1-ylpropanoylamino)methyl]benzoate
CID 9292192
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441
2-(5-aminoindol-1-yl)-N-benzylacetamide
CID 43342948
2-[[(2-indol-1-ylacetyl)amino]carbamoyl]benzoic acid
CID 17080252
N-(2-amino-5-fluorophenyl)-2-indol-1-ylacetamide
CID 43611958
2-(6-fluoroindol-1-yl)-N-(3-indol-1-ylpropyl)acetamide
CID 166330830
N'-(2-indol-1-ylacetyl)pyridine-4-carbohydrazide
CID 5116286

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide (CID 3336665) is N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide is O=C(CCC(=O)NNC(=O)Cn1ccc2ccccc21)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide?
The InChIKey is FTGIMZWVCUGNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c22-17-7-5-15(6-8-17)13-23-19(27)9-10-20(28)24-25-21(29)14-26-12-11-16-3-1-2-4-18(16)26/h1-8,11-12H,9-10,13-14H2,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide?
N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide has a molecular weight of 396.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 3336665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).