5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide

C25H19ClN2O7 — CID 19446179

IUPAC5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
SMILESCOc1ccc(Oc2cc(NC(=O)c3ccc(COc4cccc(Cl)c4)o3)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C25H19ClN2O7/c1-32-19-5-7-20(8-6-19)34-23-13-17(12-18(14-23)28(30)31)27-25(29)24-10-9-22(35-24)15-33-21-4-2-3-16(26)11-21/h2-14H,15H2,1H3,(H,27,29)
InChIKeyDBHMKXKICHJTTP-UHFFFAOYSA-N
MW494.89 g/mol
LogP6.47
Rot. Bonds9

About 5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide

5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide (PubChem CID 19446179) has the molecular formula C25H19ClN2O7 and a molecular weight of 494.89 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
PubChem CID19446179
Molecular FormulaC25H19ClN2O7
Molecular Weight494.89 g/mol
Exact Mass494.09
IUPAC Name5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
SMILESCOc1ccc(Oc2cc(NC(=O)c3ccc(COc4cccc(Cl)c4)o3)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C25H19ClN2O7/c1-32-19-5-7-20(8-6-19)34-23-13-17(12-18(14-23)28(30)31)27-25(29)24-10-9-22(35-24)15-33-21-4-2-3-16(26)11-21/h2-14H,15H2,1H3,(H,27,29)
InChIKeyDBHMKXKICHJTTP-UHFFFAOYSA-N
XLogP6.47
TPSA113.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.89
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[3-(4-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446177
5-[(2-methoxyphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19467582
N-[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19446251
5-[(4-tert-butylphenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19452444
methyl 4-[[5-[[3-(4-chlorophenoxy)-5-nitrophenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19449047
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448138
5-[(2,4-difluorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19453214
5-[(4-ethylphenoxy)methyl]-N-(3-methoxy-5-nitrophenyl)furan-2-carboxamide
CID 19446630
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455492
5-[(4-chloro-3-methylphenoxy)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19417043
N-[3-(4-chloro-2-methylphenoxy)-5-nitrophenyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19451014
5-[(3-chlorophenoxy)methyl]-N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 19446107

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide (CID 19446179) is 5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide is COc1ccc(Oc2cc(NC(=O)c3ccc(COc4cccc(Cl)c4)o3)cc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide?
The InChIKey is DBHMKXKICHJTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O7/c1-32-19-5-7-20(8-6-19)34-23-13-17(12-18(14-23)28(30)31)27-25(29)24-10-9-22(35-24)15-33-21-4-2-3-16(26)11-21/h2-14H,15H2,1H3,(H,27,29).
What are the key properties of 5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide?
5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide has a molecular weight of 494.89 g/mol, XLogP of 6.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide is sourced from PubChem (CID 19446179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).