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

C20H18ClNO3 — CID 19457050

IUPAC5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H18ClNO3/c1-2-14-7-9-15(10-8-14)22-20(23)19-12-11-16(25-19)13-24-18-6-4-3-5-17(18)21/h3-12H,2,13H2,1H3,(H,22,23)
InChIKeyFXQUXVZVQAJMCF-UHFFFAOYSA-N
MW355.82 g/mol
LogP5.33
Rot. Bonds6

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

5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide (PubChem CID 19457050) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
PubChem CID19457050
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H18ClNO3/c1-2-14-7-9-15(10-8-14)22-20(23)19-12-11-16(25-19)13-24-18-6-4-3-5-17(18)21/h3-12H,2,13H2,1H3,(H,22,23)
InChIKeyFXQUXVZVQAJMCF-UHFFFAOYSA-N
XLogP5.33
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.82
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N-(3-hydroxyphenyl)furan-2-carboxamide
CID 19458803
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19447024
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19458716
5-[(2-chlorophenoxy)methyl]-N-[4-(difluoromethoxy)-3-methoxyphenyl]furan-2-carboxamide
CID 19458762
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983
propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate
CID 19578393
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567
5-[(2-chlorophenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 1235920
methyl 4-[[5-[(2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748747

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide (CID 19457050) is 5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide is CCc1ccc(NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide?
The InChIKey is FXQUXVZVQAJMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-2-14-7-9-15(10-8-14)22-20(23)19-12-11-16(25-19)13-24-18-6-4-3-5-17(18)21/h3-12H,2,13H2,1H3,(H,22,23).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide has a molecular weight of 355.82 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 19457050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).