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

C16H12ClN3O — CID 135472516

IUPAC3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O/c17-13-5-3-4-11(8-13)16(21)20-19-10-12-9-18-15-7-2-1-6-14(12)15/h1-10,18H,(H,20,21)/b19-10+
InChIKeyMVESHDQZRAXEOZ-VXLYETTFSA-N
MW297.75 g/mol
LogP3.59
Rot. Bonds3

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

3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide (PubChem CID 135472516) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
PubChem CID135472516
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O/c17-13-5-3-4-11(8-13)16(21)20-19-10-12-9-18-15-7-2-1-6-14(12)15/h1-10,18H,(H,20,21)/b19-10+
InChIKeyMVESHDQZRAXEOZ-VXLYETTFSA-N
XLogP3.59
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 171135949
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
CID 135704659
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136897265
N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 135957370
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide (CID 135472516) is 3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
The InChIKey is MVESHDQZRAXEOZ-VXLYETTFSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-5-3-4-11(8-13)16(21)20-19-10-12-9-18-15-7-2-1-6-14(12)15/h1-10,18H,(H,20,21)/b19-10+.
What are the key properties of 3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide?
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide has a molecular weight of 297.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 135472516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).