N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide

C18H15BrN4O5 — CID 55615537

IUPACN-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C18H15BrN4O5/c19-11-7-14(20-9-11)17(25)23-22-16(24)10-28-13-4-1-3-12(8-13)21-18(26)15-5-2-6-27-15/h1-9,20H,10H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyXUKPLIGUMUFRIX-UHFFFAOYSA-N
MW447.25 g/mol
LogP2.46
Rot. Bonds6

About N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 55615537) has the molecular formula C18H15BrN4O5 and a molecular weight of 447.25 g/mol. Its IUPAC name is N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID55615537
Molecular FormulaC18H15BrN4O5
Molecular Weight447.25 g/mol
Exact Mass446.02
IUPAC NameN-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C18H15BrN4O5/c19-11-7-14(20-9-11)17(25)23-22-16(24)10-28-13-4-1-3-12(8-13)21-18(26)15-5-2-6-27-15/h1-9,20H,10H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyXUKPLIGUMUFRIX-UHFFFAOYSA-N
XLogP2.46
TPSA125.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.25
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzamide
CID 55874192
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-[3-(furan-2-ylmethoxymethyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55933693
N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616552
N-[3-[2-[3-(furan-2-ylmethoxy)propylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86930220
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120508274
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 120508273
N-[3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide
CID 55616650
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]furan-2-carboxamide
CID 1491636
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 55615537) is N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide is O=C(COc1cccc(NC(=O)c2ccco2)c1)NNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is XUKPLIGUMUFRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O5/c19-11-7-14(20-9-11)17(25)23-22-16(24)10-28-13-4-1-3-12(8-13)21-18(26)15-5-2-6-27-15/h1-9,20H,10H2,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 447.25 g/mol, XLogP of 2.46, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55615537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).