N'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide

C18H13N3O4 — CID 1480743

IUPACN'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1oc2ccccc2c1-n1cccc1)c1ccco1
InChIInChI=1S/C18H13N3O4/c22-17(14-8-5-11-24-14)19-20-18(23)16-15(21-9-3-4-10-21)12-6-1-2-7-13(12)25-16/h1-11H,(H,19,22)(H,20,23)
InChIKeyVFXRHDAIELEMHE-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.89
Rot. Bonds3

About N'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide

N'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide (PubChem CID 1480743) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is N'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide
PubChem CID1480743
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC NameN'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide
SMILESO=C(NNC(=O)c1oc2ccccc2c1-n1cccc1)c1ccco1
InChIInChI=1S/C18H13N3O4/c22-17(14-8-5-11-24-14)19-20-18(23)16-15(21-9-3-4-10-21)12-6-1-2-7-13(12)25-16/h1-11H,(H,19,22)(H,20,23)
InChIKeyVFXRHDAIELEMHE-UHFFFAOYSA-N
XLogP2.89
TPSA89.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
CID 2390945
N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
CID 7677977
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-1-benzofuran-2-carboxamide
CID 136205698
N-[(E)-(1-prop-2-ynylindol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6883561
3-(1H-pyrrol-1-yl)-1-benzofuran-2-carbohydrazide
CID 1480739
N-[(E)-(1,2,5-trimethylpyrrol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6890101
ethyl (3-{(E)-[2-(1-benzofuran-2-ylcarbonyl)hydrazinylidene]methyl}-1H-indol-1-yl)acetate
CID 6885860
4-(1-benzofuran-2-ylcarbonyl)-1-(2-furylmethyl)-3-hydroxy-5-(3-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2944910
methyl 3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate
CID 687116
(3-Amino-1-benzofuran-2-YL)(4-pyridinyl)methanone
CID 10776291
N1-(2-carbamoylbenzofuran-3-yl)-N2-(pyridin-2-ylmethyl)oxalamide
CID 18587364
3-Cyclopentaneamido-N-[(4-fluorophenyl)methyl]-N-[(pyridin-3-YL)methyl]-1-benzofuran-2-carboxamide
CID 20925760

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide (CID 1480743) is N'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide is O=C(NNC(=O)c1oc2ccccc2c1-n1cccc1)c1ccco1.
What is the InChIKey of N'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide?
The InChIKey is VFXRHDAIELEMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-17(14-8-5-11-24-14)19-20-18(23)16-15(21-9-3-4-10-21)12-6-1-2-7-13(12)25-16/h1-11H,(H,19,22)(H,20,23).
What are the key properties of N'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide?
N'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide has a molecular weight of 335.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-carbonyl)-3-pyrrol-1-yl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 1480743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).