3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide

C23H17BrN4O2 — CID 136897265

IUPAC3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1c[nH]c2ccccc12)c1cccc(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C23H17BrN4O2/c24-18-7-3-5-15(11-18)22(29)27-19-8-4-6-16(12-19)23(30)28-26-14-17-13-25-21-10-2-1-9-20(17)21/h1-14,25H,(H,27,29)(H,28,30)/b26-14-
InChIKeyVIRJOEWYTNJHSO-WGARJPEWSA-N
MW461.32 g/mol
LogP4.95
Rot. Bonds5

About 3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide

3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide (PubChem CID 136897265) has the molecular formula C23H17BrN4O2 and a molecular weight of 461.32 g/mol. Its IUPAC name is 3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
PubChem CID136897265
Molecular FormulaC23H17BrN4O2
Molecular Weight461.32 g/mol
Exact Mass460.05
IUPAC Name3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C\c1c[nH]c2ccccc12)c1cccc(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C23H17BrN4O2/c24-18-7-3-5-15(11-18)22(29)27-19-8-4-6-16(12-19)23(30)28-26-14-17-13-25-21-10-2-1-9-20(17)21/h1-14,25H,(H,27,29)(H,28,30)/b26-14-
InChIKeyVIRJOEWYTNJHSO-WGARJPEWSA-N
XLogP4.95
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.32
LogP ≤ 54.95
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-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide
CID 135957370
3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 171135949
N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide
CID 135569761
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
3-[(1H-indol-3-ylmethylideneamino)carbamothioylamino]benzoic acid
CID 3250779
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
5-bromo-2-hydroxy-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136711415
3,5-dibromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-methoxybenzamide
CID 136783661
3-bromo-N-(1H-indol-3-ylmethylideneamino)-4-methoxybenzamide
CID 5153685

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The IUPAC name of 3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide (CID 136897265) is 3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The canonical SMILES for 3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide is O=C(N/N=C\c1c[nH]c2ccccc12)c1cccc(NC(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
The InChIKey is VIRJOEWYTNJHSO-WGARJPEWSA-N. The full InChI is InChI=1S/C23H17BrN4O2/c24-18-7-3-5-15(11-18)22(29)27-19-8-4-6-16(12-19)23(30)28-26-14-17-13-25-21-10-2-1-9-20(17)21/h1-14,25H,(H,27,29)(H,28,30)/b26-14-.
What are the key properties of 3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide?
3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide has a molecular weight of 461.32 g/mol, XLogP of 4.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 136897265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).