5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide

C20H17ClN2O6 — CID 19459275

IUPAC5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2c(C)cccc2Cl)o1
InChIInChI=1S/C20H17ClN2O6/c1-12-4-3-5-15(21)19(12)28-11-14-7-9-17(29-14)20(24)22-16-8-6-13(23(25)26)10-18(16)27-2/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyYPAZQZPCZLTWIA-UHFFFAOYSA-N
MW416.82 g/mol
LogP4.99
Rot. Bonds7

About 5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide

5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide (PubChem CID 19459275) has the molecular formula C20H17ClN2O6 and a molecular weight of 416.82 g/mol. Its IUPAC name is 5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
PubChem CID19459275
Molecular FormulaC20H17ClN2O6
Molecular Weight416.82 g/mol
Exact Mass416.08
IUPAC Name5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2c(C)cccc2Cl)o1
InChIInChI=1S/C20H17ClN2O6/c1-12-4-3-5-15(21)19(12)28-11-14-7-9-17(29-14)20(24)22-16-8-6-13(23(25)26)10-18(16)27-2/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyYPAZQZPCZLTWIA-UHFFFAOYSA-N
XLogP4.99
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 54.99
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-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19447050
5-[(2,5-dimethylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19452686
5-[(4-iodophenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide
CID 19417299
5-[(2-chloro-6-methylphenoxy)methyl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19459315
N-(2-chloro-5-nitrophenyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415750
5-[(2,6-dimethylphenoxy)methyl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19446937
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-5-nitrophenyl)furan-2-carboxamide
CID 19417030
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(2-fluoro-5-methylphenyl)furan-2-carboxamide
CID 19459513
5-[(2-bromophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)furan-2-carboxamide
CID 19450414
5-[(2-chloro-5-nitrophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19459722
5-[(2-chloro-5-nitrophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]furan-2-carboxamide
CID 19459716
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19459272

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide (CID 19459275) is 5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2c(C)cccc2Cl)o1.
What is the InChIKey of 5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
The InChIKey is YPAZQZPCZLTWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O6/c1-12-4-3-5-15(21)19(12)28-11-14-7-9-17(29-14)20(24)22-16-8-6-13(23(25)26)10-18(16)27-2/h3-10H,11H2,1-2H3,(H,22,24).
What are the key properties of 5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide?
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide has a molecular weight of 416.82 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methoxy-4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 19459275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).