2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide

C19H15N3O2 — CID 126378231

IUPAC2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide
SMILESC#CCn1cc(/C=N\NC(=O)c2ccccc2O)c2ccccc21
InChIInChI=1S/C19H15N3O2/c1-2-11-22-13-14(15-7-3-5-9-17(15)22)12-20-21-19(24)16-8-4-6-10-18(16)23/h1,3-10,12-13,23H,11H2,(H,21,24)/b20-12-
InChIKeyXZMVPMRXTJJOGJ-NDENLUEZSA-N
MW317.35 g/mol
LogP2.74
Rot. Bonds4

About 2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide

2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide (PubChem CID 126378231) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide
PubChem CID126378231
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide
SMILESC#CCn1cc(/C=N\NC(=O)c2ccccc2O)c2ccccc21
InChIInChI=1S/C19H15N3O2/c1-2-11-22-13-14(15-7-3-5-9-17(15)22)12-20-21-19(24)16-8-4-6-10-18(16)23/h1,3-10,12-13,23H,11H2,(H,21,24)/b20-12-
InChIKeyXZMVPMRXTJJOGJ-NDENLUEZSA-N
XLogP2.74
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 126184329
2-phenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126364361
2,2-diphenyl-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 126395143
2-hydroxy-N-[(E)-(2-methyl-1-prop-2-ynylindol-3-yl)methylideneamino]benzamide
CID 21380028
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]acetamide
CID 21370421
2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide
CID 110512121
2-bromo-N-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 29146968
2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 19060951
2-chloro-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 23476934
N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]-2-methoxy-4-methylbenzamide
CID 3983888
2-methyl-N-[(E)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
CID 19060960
N-[[1-(cyanomethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide
CID 3429535

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide (CID 126378231) is 2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide is C#CCn1cc(/C=N\NC(=O)c2ccccc2O)c2ccccc21.
What is the InChIKey of 2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide?
The InChIKey is XZMVPMRXTJJOGJ-NDENLUEZSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-2-11-22-13-14(15-7-3-5-9-17(15)22)12-20-21-19(24)16-8-4-6-10-18(16)23/h1,3-10,12-13,23H,11H2,(H,21,24)/b20-12-.
What are the key properties of 2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide?
2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide has a molecular weight of 317.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-(1-prop-2-ynylindol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 126378231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).