5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide

C13H12N2O5 — CID 580014

IUPAC5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(N)=O)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O5/c1-8-2-4-11(10(6-8)15(17)18)19-7-9-3-5-12(20-9)13(14)16/h2-6H,7H2,1H3,(H2,14,16)
InChIKeyUINJUSVKGWHJSP-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.17
Rot. Bonds5

About 5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide

5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide (PubChem CID 580014) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
PubChem CID580014
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(N)=O)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H12N2O5/c1-8-2-4-11(10(6-8)15(17)18)19-7-9-3-5-12(20-9)13(14)16/h2-6H,7H2,1H3,(H2,14,16)
InChIKeyUINJUSVKGWHJSP-UHFFFAOYSA-N
XLogP2.17
TPSA108.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461349
N-(4-fluorophenyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5067006
N-[(4-fluorophenyl)methyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461206
ethyl (2R)-2-[[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl]amino]-3-sulfanylpropanoate
CID 19461268
N-(furan-2-ylmethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461282
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19461245
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393403
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19462971
5-[(2,4-dinitrophenoxy)methyl]furan-2-carboxylic acid
CID 4681812
ethyl 4,5-dimethyl-2-[[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19461264
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19292533
[3,5-bis(difluoromethyl)-3-hydroxy-1H-pyrazol-2-yl]-[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-yl]methanone
CID 4748396

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide (CID 580014) is 5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(N)=O)o2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
The InChIKey is UINJUSVKGWHJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-8-2-4-11(10(6-8)15(17)18)19-7-9-3-5-12(20-9)13(14)16/h2-6H,7H2,1H3,(H2,14,16).
What are the key properties of 5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide?
5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide has a molecular weight of 276.25 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 580014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).