5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide

C22H22ClNO3 — CID 4919266

IUPAC5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide
SMILESCCCc1ccc(OCCNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C22H22ClNO3/c1-2-3-16-4-10-19(11-5-16)26-15-14-24-22(25)21-13-12-20(27-21)17-6-8-18(23)9-7-17/h4-13H,2-3,14-15H2,1H3,(H,24,25)
InChIKeyXSLYJHOYRSESAB-UHFFFAOYSA-N
MW383.88 g/mol
LogP5.36
Rot. Bonds8

About 5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide

5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide (PubChem CID 4919266) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide
PubChem CID4919266
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide
SMILESCCCc1ccc(OCCNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C22H22ClNO3/c1-2-3-16-4-10-19(11-5-16)26-15-14-24-22(25)21-13-12-20(27-21)17-6-8-18(23)9-7-17/h4-13H,2-3,14-15H2,1H3,(H,24,25)
InChIKeyXSLYJHOYRSESAB-UHFFFAOYSA-N
XLogP5.36
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
CID 18286334
5-(4-chlorophenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 1490282
2-(4-phenylphenyl)-N-[2-(4-propylphenoxy)ethyl]acetamide
CID 100517253
5-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 29368987
2-(4-chlorophenoxy)-2-methyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 100519506
5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide
CID 24503555
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145739
N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide
CID 94273188
3-chloro-4-methoxy-N-[2-(4-propylphenoxy)ethyl]benzamide
CID 100563948
1-methyl-3-[2-(4-propylphenoxy)ethyl]urea
CID 70468541
N-[2-(4-chlorophenoxy)ethyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 57210461
5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide
CID 18113432

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide (CID 4919266) is 5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide is CCCc1ccc(OCCNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide?
The InChIKey is XSLYJHOYRSESAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c1-2-3-16-4-10-19(11-5-16)26-15-14-24-22(25)21-13-12-20(27-21)17-6-8-18(23)9-7-17/h4-13H,2-3,14-15H2,1H3,(H,24,25).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide?
5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide is sourced from PubChem (CID 4919266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).