3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide

C18H16N4O2 — CID 135804470

IUPAC3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H16N4O2/c1-12(23)21-15-6-4-5-13(9-15)18(24)22-20-11-14-10-19-17-8-3-2-7-16(14)17/h2-11,19H,1H3,(H,21,23)(H,22,24)/b20-11+
InChIKeyLCOTVQMHWWQDAM-RGVLZGJSSA-N
MW320.35 g/mol
LogP2.89
Rot. Bonds4

About 3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide

3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide (PubChem CID 135804470) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
PubChem CID135804470
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H16N4O2/c1-12(23)21-15-6-4-5-13(9-15)18(24)22-20-11-14-10-19-17-8-3-2-7-16(14)17/h2-11,19H,1H3,(H,21,23)(H,22,24)/b20-11+
InChIKeyLCOTVQMHWWQDAM-RGVLZGJSSA-N
XLogP2.89
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The IUPAC name of 3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide (CID 135804470) is 3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The canonical SMILES for 3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide is CC(=O)Nc1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The InChIKey is LCOTVQMHWWQDAM-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12(23)21-15-6-4-5-13(9-15)18(24)22-20-11-14-10-19-17-8-3-2-7-16(14)17/h2-11,19H,1H3,(H,21,23)(H,22,24)/b20-11+.
What are the key properties of 3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide has a molecular weight of 320.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 135804470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).