1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide

C20H13Br2N3O3 — CID 100817382

IUPAC1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide
SMILESNNC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3Br)o2)c2ccccc12
InChIInChI=1S/C20H13Br2N3O3/c21-11-5-6-13(15(22)9-11)17-7-8-18(28-17)20(27)25-10-14(19(26)24-23)12-3-1-2-4-16(12)25/h1-10H,23H2,(H,24,26)
InChIKeyMMPBYTDGZGMLRI-UHFFFAOYSA-N
MW503.15 g/mol
LogP4.72
Rot. Bonds3

About 1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide

1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide (PubChem CID 100817382) has the molecular formula C20H13Br2N3O3 and a molecular weight of 503.15 g/mol. Its IUPAC name is 1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide
PubChem CID100817382
Molecular FormulaC20H13Br2N3O3
Molecular Weight503.15 g/mol
Exact Mass500.93
IUPAC Name1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide
SMILESNNC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3Br)o2)c2ccccc12
InChIInChI=1S/C20H13Br2N3O3/c21-11-5-6-13(15(22)9-11)17-7-8-18(28-17)20(27)25-10-14(19(26)24-23)12-3-1-2-4-16(12)25/h1-10H,23H2,(H,24,26)
InChIKeyMMPBYTDGZGMLRI-UHFFFAOYSA-N
XLogP4.72
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.15
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-bromo-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxylic acid
CID 100817609
1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide
CID 100817444
1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide
CID 100817354
methyl 1-[5-(2,4-dibromophenyl)furan-2-carbonyl]-2-methylindole-3-carboxylate
CID 100817377
5-(2,4-dibromophenyl)furan-2-carbonyl chloride
CID 17274076
1-(2-fluorobenzoyl)indole-3-carbohydrazide
CID 91690349
methyl 5-(2,4-dibromophenyl)furan-2-carboxylate
CID 95910400
1-(3-methoxybenzoyl)indole-3-carbohydrazide
CID 91690599
1-[5-(2-methyl-5-nitrophenyl)furan-2-carbonyl]indole-3-carboxylic acid
CID 100817550
5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
CID 94675227
5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide
CID 50879311
1-propanoylindole-3-carbohydrazide
CID 91690174

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide?
The IUPAC name of 1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide (CID 100817382) is 1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide.
What is the SMILES notation for 1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide?
The canonical SMILES for 1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide is NNC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3Br)o2)c2ccccc12.
What is the InChIKey of 1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide?
The InChIKey is MMPBYTDGZGMLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Br2N3O3/c21-11-5-6-13(15(22)9-11)17-7-8-18(28-17)20(27)25-10-14(19(26)24-23)12-3-1-2-4-16(12)25/h1-10H,23H2,(H,24,26).
What are the key properties of 1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide?
1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide has a molecular weight of 503.15 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide is sourced from PubChem (CID 100817382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).