5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide

C11H8BrClN2O2 — CID 94675227

IUPAC5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C11H8BrClN2O2/c12-6-1-2-7(8(13)5-6)9-3-4-10(17-9)11(16)15-14/h1-5H,14H2,(H,15,16)
InChIKeyQKIOZVZAYWGQSM-UHFFFAOYSA-N
MW315.55 g/mol
LogP2.97
Rot. Bonds2

About 5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide

5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide (PubChem CID 94675227) has the molecular formula C11H8BrClN2O2 and a molecular weight of 315.55 g/mol. Its IUPAC name is 5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
PubChem CID94675227
Molecular FormulaC11H8BrClN2O2
Molecular Weight315.55 g/mol
Exact Mass313.95
IUPAC Name5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1
InChIInChI=1S/C11H8BrClN2O2/c12-6-1-2-7(8(13)5-6)9-3-4-10(17-9)11(16)15-14/h1-5H,14H2,(H,15,16)
InChIKeyQKIOZVZAYWGQSM-UHFFFAOYSA-N
XLogP2.97
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-(4-bromo-2-chlorophenyl)furan-2-carboxylate
CID 7394546
5-(4-bromo-2-nitrophenyl)furan-2-carbohydrazide
CID 95911264
5-(4-bromophenyl)furan-2-carbohydrazide
CID 4697634
N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2238913
5-(2-bromo-4-methylphenyl)furan-2-carbohydrazide
CID 50879311
5-(2-bromo-4-methoxyphenyl)furan-2-carbohydrazide
CID 50879299
[5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine
CID 43347493
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 135635026
N-(4-amino-2-chloro-6-methylphenyl)-5-(4-bromo-2-methylphenyl)furan-2-carboxamide
CID 100816682
(E)-3-[5-(4-bromo-2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 17274084
methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate
CID 7175940
5-(4-amino-2-chlorophenyl)-N-(3-methoxypropyl)furan-2-carboxamide
CID 91687739

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide?
The IUPAC name of 5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide (CID 94675227) is 5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide is NNC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1.
What is the InChIKey of 5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide?
The InChIKey is QKIOZVZAYWGQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2/c12-6-1-2-7(8(13)5-6)9-3-4-10(17-9)11(16)15-14/h1-5H,14H2,(H,15,16).
What are the key properties of 5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide?
5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide has a molecular weight of 315.55 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chlorophenyl)furan-2-carbohydrazide is sourced from PubChem (CID 94675227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).