5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide

C23H22ClNO4 — CID 18286334

IUPAC5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCCCCOc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C23H22ClNO4/c1-16(26)17-4-6-18(7-5-17)21-12-13-22(29-21)23(27)25-14-2-3-15-28-20-10-8-19(24)9-11-20/h4-13H,2-3,14-15H2,1H3,(H,25,27)
InChIKeyNGTVWTBXQQEYIZ-UHFFFAOYSA-N
MW411.89 g/mol
LogP5.39
Rot. Bonds9

About 5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide

5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide (PubChem CID 18286334) has the molecular formula C23H22ClNO4 and a molecular weight of 411.89 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
PubChem CID18286334
Molecular FormulaC23H22ClNO4
Molecular Weight411.89 g/mol
Exact Mass411.12
IUPAC Name5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCCCCOc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C23H22ClNO4/c1-16(26)17-4-6-18(7-5-17)21-12-13-22(29-21)23(27)25-14-2-3-15-28-20-10-8-19(24)9-11-20/h4-13H,2-3,14-15H2,1H3,(H,25,27)
InChIKeyNGTVWTBXQQEYIZ-UHFFFAOYSA-N
XLogP5.39
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.89
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-N-[2-(4-propylphenoxy)ethyl]furan-2-carboxamide
CID 4919266
5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide
CID 24503555
5-(4-acetylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 30755667
5-(4-chlorophenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 1490282
N-(2-aminoethyl)-5-(4-methoxyphenyl)furan-2-carboxamide
CID 94273188
5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide
CID 16602950
5-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 29368987
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
5-(benzenesulfonylmethyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
CID 24524461
5-(4-acetylphenyl)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 18270106
5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145659
1-[4-[2-(4-chlorophenoxy)ethylamino]phenyl]ethanone
CID 82095847

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide (CID 18286334) is 5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)NCCCCOc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide?
The InChIKey is NGTVWTBXQQEYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4/c1-16(26)17-4-6-18(7-5-17)21-12-13-22(29-21)23(27)25-14-2-3-15-28-20-10-8-19(24)9-11-20/h4-13H,2-3,14-15H2,1H3,(H,25,27).
What are the key properties of 5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide?
5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide is sourced from PubChem (CID 18286334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).