N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide

C18H17N3O2 — CID 2086054

IUPACN'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccccc1
InChIInChI=1S/C18H17N3O2/c22-17(20-21-18(23)13-6-2-1-3-7-13)11-10-14-12-19-16-9-5-4-8-15(14)16/h1-9,12,19H,10-11H2,(H,20,22)(H,21,23)
InChIKeyRDQIBXJBFLKSGH-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.56
Rot. Bonds4

About N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide

N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide (PubChem CID 2086054) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
PubChem CID2086054
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccccc1
InChIInChI=1S/C18H17N3O2/c22-17(20-21-18(23)13-6-2-1-3-7-13)11-10-14-12-19-16-9-5-4-8-15(14)16/h1-9,12,19H,10-11H2,(H,20,22)(H,21,23)
InChIKeyRDQIBXJBFLKSGH-UHFFFAOYSA-N
XLogP2.56
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[3-(1H-indol-3-yl)propanoyl]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

4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2088419
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 8942689
N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide
CID 55900685
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[6-[2-(1H-indol-3-yl)ethylamino]-6-oxohexyl]benzamide
CID 4144351
N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
CID 27691367
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
4-(1H-indol-3-yl)-1-phenylbutan-1-one
CID 101437539
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide?
The IUPAC name of N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide (CID 2086054) is N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide.
What is the SMILES notation for N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide?
The canonical SMILES for N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide is O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide?
The InChIKey is RDQIBXJBFLKSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-17(20-21-18(23)13-6-2-1-3-7-13)11-10-14-12-19-16-9-5-4-8-15(14)16/h1-9,12,19H,10-11H2,(H,20,22)(H,21,23).
What are the key properties of N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide?
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide has a molecular weight of 307.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 2086054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).