5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide

C20H18ClNO4 — CID 4605258

IUPAC5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)cc1
InChIInChI=1S/C20H18ClNO4/c1-13-11-16(7-9-18(13)21)25-12-17-8-10-19(26-17)20(23)22-14-3-5-15(24-2)6-4-14/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyIWIXVWOPELQKDC-UHFFFAOYSA-N
MW371.82 g/mol
LogP5.08
Rot. Bonds6

About 5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide

5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide (PubChem CID 4605258) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
PubChem CID4605258
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)cc1
InChIInChI=1S/C20H18ClNO4/c1-13-11-16(7-9-18(13)21)25-12-17-8-10-19(26-17)20(23)22-14-3-5-15(24-2)6-4-14/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyIWIXVWOPELQKDC-UHFFFAOYSA-N
XLogP5.08
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.82
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19416966
4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate
CID 4050771
N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784
5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19416979
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19416994
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
5-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 5151114
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
CID 1084332
5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19416952
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-5-nitrophenyl)furan-2-carboxamide
CID 19417030
5-[(4-chloro-3-methylphenoxy)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19417043

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide (CID 4605258) is 5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide is COc1ccc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)cc1.
What is the InChIKey of 5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
The InChIKey is IWIXVWOPELQKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-13-11-16(7-9-18(13)21)25-12-17-8-10-19(26-17)20(23)22-14-3-5-15(24-2)6-4-14/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of 5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide?
5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 4605258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).