5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C14H11BrClN3O4 — CID 9475660

IUPAC5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H11BrClN3O4/c15-11-5-4-10(23-11)14(22)17-7-12(20)18-19-13(21)8-2-1-3-9(16)6-8/h1-6H,7H2,(H,17,22)(H,18,20)(H,19,21)
InChIKeyFTZUEHYYNQUFRH-UHFFFAOYSA-N
MW400.62 g/mol
LogP1.89
Rot. Bonds4

About 5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 9475660) has the molecular formula C14H11BrClN3O4 and a molecular weight of 400.62 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID9475660
Molecular FormulaC14H11BrClN3O4
Molecular Weight400.62 g/mol
Exact Mass398.96
IUPAC Name5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H11BrClN3O4/c15-11-5-4-10(23-11)14(22)17-7-12(20)18-19-13(21)8-2-1-3-9(16)6-8/h1-6H,7H2,(H,17,22)(H,18,20)(H,19,21)
InChIKeyFTZUEHYYNQUFRH-UHFFFAOYSA-N
XLogP1.89
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.62
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 9475660) is 5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is FTZUEHYYNQUFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN3O4/c15-11-5-4-10(23-11)14(22)17-7-12(20)18-19-13(21)8-2-1-3-9(16)6-8/h1-6H,7H2,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of 5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 400.62 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9475660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).