5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide

C21H19ClN2O6 — CID 1269671

IUPAC5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C21H19ClN2O6/c1-28-16-5-2-14(3-6-16)10-11-23-21(25)20-9-7-17(30-20)13-29-19-8-4-15(22)12-18(19)24(26)27/h2-9,12H,10-11,13H2,1H3,(H,23,25)
InChIKeyMLUYNJNUALPEEA-UHFFFAOYSA-N
MW430.84 g/mol
LogP4.40
Rot. Bonds9

About 5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide

5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 1269671) has the molecular formula C21H19ClN2O6 and a molecular weight of 430.84 g/mol. Its IUPAC name is 5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID1269671
Molecular FormulaC21H19ClN2O6
Molecular Weight430.84 g/mol
Exact Mass430.09
IUPAC Name5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C21H19ClN2O6/c1-28-16-5-2-14(3-6-16)10-11-23-21(25)20-9-7-17(30-20)13-29-19-8-4-15(22)12-18(19)24(26)27/h2-9,12H,10-11,13H2,1H3,(H,23,25)
InChIKeyMLUYNJNUALPEEA-UHFFFAOYSA-N
XLogP4.40
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.84
LogP ≤ 54.40
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-2-nitrophenoxy)methyl]furan-2-carboxylic acid
CID 919086
N-(2-methoxyethyl)-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461349
N-[2-(4-chlorophenyl)ethyl]-5-[(2,5-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3416642
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55344956
N-[(5-chloro-1H-indol-2-yl)methyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 1231821
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-3,5-dinitrobenzamide
CID 4633764
5-[(3-chlorophenoxy)methyl]-N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 19446107
N-[2-(4-methoxyphenyl)ethyl]-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
CID 9150497
5-[(4-methyl-2-nitrophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19574729
5-[(4-acetylphenoxy)methyl]-N-(4-chloro-2-nitrophenyl)furan-2-carboxamide
CID 19455225
4-ethoxy-5-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 26644252
N-[(4-fluorophenyl)methyl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19461206

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide (CID 1269671) is 5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide is COc1ccc(CCNC(=O)c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1.
What is the InChIKey of 5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is MLUYNJNUALPEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O6/c1-28-16-5-2-14(3-6-16)10-11-23-21(25)20-9-7-17(30-20)13-29-19-8-4-15(22)12-18(19)24(26)27/h2-9,12H,10-11,13H2,1H3,(H,23,25).
What are the key properties of 5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide?
5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 430.84 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-nitrophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 1269671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).