N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C14H12BrN3O4 — CID 4789973

IUPACN-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3O4/c15-10-5-3-9(4-6-10)13(20)18-17-12(19)8-16-14(21)11-2-1-7-22-11/h1-7H,8H2,(H,16,21)(H,17,19)(H,18,20)
InChIKeyZJNUCGCDFKHJMW-UHFFFAOYSA-N
MW366.17 g/mol
LogP1.23
Rot. Bonds4

About N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 4789973) has the molecular formula C14H12BrN3O4 and a molecular weight of 366.17 g/mol. Its IUPAC name is N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID4789973
Molecular FormulaC14H12BrN3O4
Molecular Weight366.17 g/mol
Exact Mass365.00
IUPAC NameN-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrN3O4/c15-10-5-3-9(4-6-10)13(20)18-17-12(19)8-16-14(21)11-2-1-7-22-11/h1-7H,8H2,(H,16,21)(H,17,19)(H,18,20)
InChIKeyZJNUCGCDFKHJMW-UHFFFAOYSA-N
XLogP1.23
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.17
LogP ≤ 51.23
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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Related Compounds

3-bromo-N-(furan-2-ylmethyl)benzamide
CID 809128
2-bromo-N-(furan-2-ylmethyl)benzamide
CID 721318
N'-(3-bromobenzoyl)furan-2-carbohydrazide
CID 795641
5-bromo-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 2668570
5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 4846467
5-bromo-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7478817
N-[2-(benzylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 7964563
5-bromo-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 803438
5-bromo-N-(4-phenylbutyl)furan-2-carboxamide
CID 1739888
5-bromo-N-(3-phenylpropyl)furan-2-carboxamide
CID 1744616
5-bromo-N-[1-(4-morpholinylcarbonyl)-2-phenylvinyl]-2-furamide
CID 1770750
N-{(1Z)-1-(4-bromophenyl)-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-2-yl}furan-2-carboxamide
CID 1903002

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 4789973) is N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is ZJNUCGCDFKHJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O4/c15-10-5-3-9(4-6-10)13(20)18-17-12(19)8-16-14(21)11-2-1-7-22-11/h1-7H,8H2,(H,16,21)(H,17,19)(H,18,20).
What are the key properties of N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 366.17 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 4789973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).