5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide

C19H16N2O6 — CID 19412725

IUPAC5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
SMILESCOc1cccc(OCc2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])o2)c1
InChIInChI=1S/C19H16N2O6/c1-25-13-5-4-6-14(11-13)26-12-15-9-10-18(27-15)19(22)20-16-7-2-3-8-17(16)21(23)24/h2-11H,12H2,1H3,(H,20,22)
InChIKeyOYPBXDMDDOFLIZ-UHFFFAOYSA-N
MW368.35 g/mol
LogP4.03
Rot. Bonds7

About 5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide

5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 19412725) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is 5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
PubChem CID19412725
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
SMILESCOc1cccc(OCc2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])o2)c1
InChIInChI=1S/C19H16N2O6/c1-25-13-5-4-6-14(11-13)26-12-15-9-10-18(27-15)19(22)20-16-7-2-3-8-17(16)21(23)24/h2-11H,12H2,1H3,(H,20,22)
InChIKeyOYPBXDMDDOFLIZ-UHFFFAOYSA-N
XLogP4.03
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
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

5-[(3-chlorophenoxy)methyl]-N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 19446107
N-(4-ethoxy-2-nitrophenyl)-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19413316
5-[(2-chloro-4-fluorophenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide
CID 19452993
N-(2-hydroxy-5-nitrophenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451270
5-[(3,4-dimethylphenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)furan-2-carboxamide
CID 19450848
5-[(3-methoxyphenoxy)methyl]-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]furan-2-carboxamide
CID 19415309
N-(2-nitrophenyl)-3-phenylmethoxybenzamide
CID 23854961
N-(3-methoxy-5-nitrophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455035
5-[(4-acetylphenoxy)methyl]-N-(4-chloro-2-nitrophenyl)furan-2-carboxamide
CID 19455225
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 19463925
N-(4-methoxy-2-nitrophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 3588829
methyl 4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748102

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide (CID 19412725) is 5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide is COc1cccc(OCc2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])o2)c1.
What is the InChIKey of 5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is OYPBXDMDDOFLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-25-13-5-4-6-14(11-13)26-12-15-9-10-18(27-15)19(22)20-16-7-2-3-8-17(16)21(23)24/h2-11H,12H2,1H3,(H,20,22).
What are the key properties of 5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide?
5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 368.35 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenoxy)methyl]-N-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 19412725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).