3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide

C23H17ClN4O2 — CID 171135949

IUPAC3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H17ClN4O2/c24-18-10-8-15(9-11-18)22(29)27-19-5-3-4-16(12-19)23(30)28-26-14-17-13-25-21-7-2-1-6-20(17)21/h1-14,25H,(H,27,29)(H,28,30)
InChIKeyRAUCWGXEYCPIAI-UHFFFAOYSA-N
MW416.87 g/mol
LogP4.84
Rot. Bonds5

About 3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide

3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide (PubChem CID 171135949) has the molecular formula C23H17ClN4O2 and a molecular weight of 416.87 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide
PubChem CID171135949
Molecular FormulaC23H17ClN4O2
Molecular Weight416.87 g/mol
Exact Mass416.10
IUPAC Name3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H17ClN4O2/c24-18-10-8-15(9-11-18)22(29)27-19-5-3-4-16(12-19)23(30)28-26-14-17-13-25-21-7-2-1-6-20(17)21/h1-14,25H,(H,27,29)(H,28,30)
InChIKeyRAUCWGXEYCPIAI-UHFFFAOYSA-N
XLogP4.84
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.84
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

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
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide
CID 135569761
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
[2-[[[3-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126231194
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043
2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 1493686
4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide
CID 136846390

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide (CID 171135949) is 3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide is O=C(NN=Cc1c[nH]c2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide?
The InChIKey is RAUCWGXEYCPIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O2/c24-18-10-8-15(9-11-18)22(29)27-19-5-3-4-16(12-19)23(30)28-26-14-17-13-25-21-7-2-1-6-20(17)21/h1-14,25H,(H,27,29)(H,28,30).
What are the key properties of 3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide?
3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide has a molecular weight of 416.87 g/mol, XLogP of 4.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide is sourced from PubChem (CID 171135949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).