3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide

C19H17N3O6 — CID 8867085

IUPAC3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
SMILESCCOCc1c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)oc2ccccc12
InChIInChI=1S/C19H17N3O6/c1-2-27-11-15-14-8-3-4-9-16(14)28-17(15)19(24)21-20-18(23)12-6-5-7-13(10-12)22(25)26/h3-10H,2,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyXQMIFZLWJOPBEU-UHFFFAOYSA-N
MW383.36 g/mol
LogP2.95
Rot. Bonds6

About 3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide

3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide (PubChem CID 8867085) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is 3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
PubChem CID8867085
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC Name3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide
SMILESCCOCc1c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)oc2ccccc12
InChIInChI=1S/C19H17N3O6/c1-2-27-11-15-14-8-3-4-9-16(14)28-17(15)19(24)21-20-18(23)12-6-5-7-13(10-12)22(25)26/h3-10H,2,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyXQMIFZLWJOPBEU-UHFFFAOYSA-N
XLogP2.95
TPSA123.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide
CID 9070735
3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-1-benzofuran-2-carboxamide
CID 9076856
N'-(3-ethoxypropanoyl)-3-nitrobenzohydrazide
CID 17357857
N-(4-ethoxyphenyl)-3-[(3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16814634
N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 9079515
(3-nitrophenyl)methyl 3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxylate
CID 55312482
N'-(2-methoxyacetyl)-3-nitrobenzohydrazide
CID 17386589
(3-nitrophenyl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 3908224
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2661314
3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide
CID 9098193
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
[2-(2-acetylhydrazinyl)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7960844

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide (CID 8867085) is 3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide is CCOCc1c(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)oc2ccccc12.
What is the InChIKey of 3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide?
The InChIKey is XQMIFZLWJOPBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6/c1-2-27-11-15-14-8-3-4-9-16(14)28-17(15)19(24)21-20-18(23)12-6-5-7-13(10-12)22(25)26/h3-10H,2,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide?
3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide has a molecular weight of 383.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-N'-(3-nitrobenzoyl)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 8867085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).