5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C16H13BrN4O5 — CID 4846467

IUPAC5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H13BrN4O5/c17-13-6-5-12(26-13)16(24)19-8-14(22)20-21-15(23)9-25-11-4-2-1-3-10(11)7-18/h1-6H,8-9H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyIELAZCLHFOLOCV-UHFFFAOYSA-N
MW421.21 g/mol
LogP0.87
Rot. Bonds6

About 5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 4846467) has the molecular formula C16H13BrN4O5 and a molecular weight of 421.21 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID4846467
Molecular FormulaC16H13BrN4O5
Molecular Weight421.21 g/mol
Exact Mass420.01
IUPAC Name5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C16H13BrN4O5/c17-13-6-5-12(26-13)16(24)19-8-14(22)20-21-15(23)9-25-11-4-2-1-3-10(11)7-18/h1-6H,8-9H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyIELAZCLHFOLOCV-UHFFFAOYSA-N
XLogP0.87
TPSA133.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.21
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 4789973
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
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 7809285
N-[3-[2-(4-bromobenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 18162042
5-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 7478792
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
5-bromo-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 9246286
5-bromo-N-[2-[2-(3-chlorobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 9475660
5-bromo-N-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 16274215
5-bromo-N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24637661
5-bromo-N-(2-methoxybenzyl)-2-furamide
CID 848257

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 4846467) is 5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is N#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is IELAZCLHFOLOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4O5/c17-13-6-5-12(26-13)16(24)19-8-14(22)20-21-15(23)9-25-11-4-2-1-3-10(11)7-18/h1-6H,8-9H2,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of 5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 421.21 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 4846467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).