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

C23H18N4O2 — CID 135479703

IUPAC2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C23H18N4O2/c28-22(16-8-2-1-3-9-16)26-21-13-7-5-11-19(21)23(29)27-25-15-17-14-24-20-12-6-4-10-18(17)20/h1-15,24H,(H,26,28)(H,27,29)/b25-15+
InChIKeyBQVMHGBNJVOWGD-MFKUBSTISA-N
MW382.42 g/mol
LogP4.18
Rot. Bonds5

About 2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide

2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide (PubChem CID 135479703) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
PubChem CID135479703
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(Nc1ccccc1C(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C23H18N4O2/c28-22(16-8-2-1-3-9-16)26-21-13-7-5-11-19(21)23(29)27-25-15-17-14-24-20-12-6-4-10-18(17)20/h1-15,24H,(H,26,28)(H,27,29)/b25-15+
InChIKeyBQVMHGBNJVOWGD-MFKUBSTISA-N
XLogP4.18
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.18
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

N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide
CID 135647349
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906
N-[(Z)-1H-indol-3-ylmethylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 137189888
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(trifluoromethoxy)benzamide
CID 135804189
N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide
CID 5001701
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The IUPAC name of 2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide (CID 135479703) is 2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The canonical SMILES for 2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide is O=C(Nc1ccccc1C(=O)N/N=C/c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The InChIKey is BQVMHGBNJVOWGD-MFKUBSTISA-N. The full InChI is InChI=1S/C23H18N4O2/c28-22(16-8-2-1-3-9-16)26-21-13-7-5-11-19(21)23(29)27-25-15-17-14-24-20-12-6-4-10-18(17)20/h1-15,24H,(H,26,28)(H,27,29)/b25-15+.
What are the key properties of 2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide has a molecular weight of 382.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 135479703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).