N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

C23H18N2O6 — CID 19412890

IUPACN-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)cc([N+](=O)[O-])c1
InChIInChI=1S/C23H18N2O6/c1-29-19-12-16(11-17(13-19)25(27)28)24-23(26)22-10-9-18(31-22)14-30-21-8-4-6-15-5-2-3-7-20(15)21/h2-13H,14H2,1H3,(H,24,26)
InChIKeyYXSKVXXWCUTQSV-UHFFFAOYSA-N
MW418.41 g/mol
LogP5.18
Rot. Bonds7

About N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide

N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (PubChem CID 19412890) has the molecular formula C23H18N2O6 and a molecular weight of 418.41 g/mol. Its IUPAC name is N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
PubChem CID19412890
Molecular FormulaC23H18N2O6
Molecular Weight418.41 g/mol
Exact Mass418.12
IUPAC NameN-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)cc([N+](=O)[O-])c1
InChIInChI=1S/C23H18N2O6/c1-29-19-12-16(11-17(13-19)25(27)28)24-23(26)22-10-9-18(31-22)14-30-21-8-4-6-15-5-2-3-7-20(15)21/h2-13H,14H2,1H3,(H,24,26)
InChIKeyYXSKVXXWCUTQSV-UHFFFAOYSA-N
XLogP5.18
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.41
LogP ≤ 55.18
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

N-(3-methoxy-5-nitrophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455035
5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19467582
5-[(4-ethylphenoxy)methyl]-N-(3-methoxy-5-nitrophenyl)furan-2-carboxamide
CID 19446630
5-[(2,6-dimethylphenoxy)methyl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446937
5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446179
5-[(2,4-difluorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19453214
5-[(4-tert-butylphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19452444
5-[(2-bromophenoxy)methyl]-N-[3-(2-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19450327
5-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19458705
N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461714
5-[(2,6-dimethylphenoxy)methyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446875
5-[(2-methylphenoxy)methyl]-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]furan-2-carboxamide
CID 19455063

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide (CID 19412890) is N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is COc1cc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
The InChIKey is YXSKVXXWCUTQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O6/c1-29-19-12-16(11-17(13-19)25(27)28)24-23(26)22-10-9-18(31-22)14-30-21-8-4-6-15-5-2-3-7-20(15)21/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide?
N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide has a molecular weight of 418.41 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-5-nitrophenyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 19412890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).