3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide

C18H15N3O2 — CID 4551378

IUPAC3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide
SMILESO=C(NN=CC=Cc1c[nH]c2ccccc12)c1cccc(O)c1
InChIInChI=1S/C18H15N3O2/c22-15-7-3-5-13(11-15)18(23)21-20-10-4-6-14-12-19-17-9-2-1-8-16(14)17/h1-12,19,22H,(H,21,23)
InChIKeyBXDWZMHBFNEIJW-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.30
Rot. Bonds4

About 3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide

3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide (PubChem CID 4551378) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide
PubChem CID4551378
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide
SMILESO=C(NN=CC=Cc1c[nH]c2ccccc12)c1cccc(O)c1
InChIInChI=1S/C18H15N3O2/c22-15-7-3-5-13(11-15)18(23)21-20-10-4-6-14-12-19-17-9-2-1-8-16(14)17/h1-12,19,22H,(H,21,23)
InChIKeyBXDWZMHBFNEIJW-UHFFFAOYSA-N
XLogP3.30
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide
CID 136846390
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030
N-[(Z)-1H-indol-3-ylmethylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 137189888
N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
CID 135704659
N-(1H-indol-3-ylmethylideneamino)quinoline-6-carboxamide
CID 1477968
3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136897265
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide?
The IUPAC name of 3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide (CID 4551378) is 3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide.
What is the SMILES notation for 3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide?
The canonical SMILES for 3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide is O=C(NN=CC=Cc1c[nH]c2ccccc12)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide?
The InChIKey is BXDWZMHBFNEIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-15-7-3-5-13(11-15)18(23)21-20-10-4-6-14-12-19-17-9-2-1-8-16(14)17/h1-12,19,22H,(H,21,23).
What are the key properties of 3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide?
3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide has a molecular weight of 305.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide is sourced from PubChem (CID 4551378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).