5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide

C20H17ClN2O4 — CID 999921

IUPAC5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(COc3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H17ClN2O4/c1-25-15-8-6-14(7-9-15)12-22-23-20(24)19-11-10-16(27-19)13-26-18-5-3-2-4-17(18)21/h2-12H,13H2,1H3,(H,23,24)
InChIKeyBQGDCUBBCXAHON-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.28
Rot. Bonds7

About 5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide

5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 999921) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID999921
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(COc3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H17ClN2O4/c1-25-15-8-6-14(7-9-15)12-22-23-20(24)19-11-10-16(27-19)13-26-18-5-3-2-4-17(18)21/h2-12H,13H2,1H3,(H,23,24)
InChIKeyBQGDCUBBCXAHON-UHFFFAOYSA-N
XLogP4.28
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(2,4-dichlorophenoxy)methyl]-N'-(3-methoxybenzylidene)-2-furohydrazide
CID 6873592
5-[(2-chlorophenoxy)methyl]-N'-(4-methoxybenzylidene)-2-furohydrazide
CID 6874296
5-[(2-chlorophenoxy)methyl]-N'-(2,4-dimethoxy-3-methylbenzylidene)-2-furohydrazide
CID 6874399
N'-(3-bromo-4-hydroxy-5-methoxybenzylidene)-5-[(2-chlorophenoxy)methyl]-2-furohydrazide
CID 135401346
5-[(2,5-dichlorophenoxy)methyl]-N'-(4-hydroxybenzylidene)-2-furohydrazide
CID 135511005
5-[(3,4-dimethylphenoxy)methyl]-N'-(2-methoxybenzylidene)-2-furohydrazide
CID 5430522
5-[(2-chlorophenoxy)methyl]-N'-(2-fluorobenzylidene)-2-furohydrazide
CID 6874364
4-[(Z)-{2-[(4-chlorophenyl)carbonyl]hydrazinylidene}methyl]phenyl furan-2-carboxylate
CID 6155557
5-[3-Chloro-4-[(3-chlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 44571281
N-[(E)-(4-chloro-2-hydroxyphenyl)methylideneamino]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 135993333
N-[(E)-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 6871753
N-[(E)-benzylideneamino]-5-(4-chlorophenyl)furan-2-carboxamide
CID 50905776

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide (CID 999921) is 5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide is COc1ccc(C=NNC(=O)c2ccc(COc3ccccc3Cl)o2)cc1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is BQGDCUBBCXAHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-25-15-8-6-14(7-9-15)12-22-23-20(24)19-11-10-16(27-19)13-26-18-5-3-2-4-17(18)21/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 999921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).