4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide

C18H22ClNO3 — CID 87002587

IUPAC4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)NCCCOCc1ccco1
InChIInChI=1S/C18H22ClNO3/c19-16-9-7-15(8-10-16)4-1-6-18(21)20-11-3-12-22-14-17-5-2-13-23-17/h2,5,7-10,13H,1,3-4,6,11-12,14H2,(H,20,21)
InChIKeyWSIKLAHAPRZMCQ-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.98
Rot. Bonds10

About 4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide

4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide (PubChem CID 87002587) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide
PubChem CID87002587
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)NCCCOCc1ccco1
InChIInChI=1S/C18H22ClNO3/c19-16-9-7-15(8-10-16)4-1-6-18(21)20-11-3-12-22-14-17-5-2-13-23-17/h2,5,7-10,13H,1,3-4,6,11-12,14H2,(H,20,21)
InChIKeyWSIKLAHAPRZMCQ-UHFFFAOYSA-N
XLogP3.98
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.98
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

3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 86914819
N-[3-(furan-2-ylmethoxy)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55461553
N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide
CID 51296872
N-[2-(4-chlorophenoxy)ethyl]-3-(furan-2-yl)propanamide
CID 31975278
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
1-(aminomethyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclopropane-1-carboxamide
CID 113312924
N-butyl-4-(4-chlorophenyl)butanamide
CID 110297621
N-(2-amino-5-chlorophenyl)-4-(furan-2-ylmethoxy)butanamide
CID 28534738
2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 55772978

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide (CID 87002587) is 4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide is O=C(CCCc1ccc(Cl)cc1)NCCCOCc1ccco1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide?
The InChIKey is WSIKLAHAPRZMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3/c19-16-9-7-15(8-10-16)4-1-6-18(21)20-11-3-12-22-14-17-5-2-13-23-17/h2,5,7-10,13H,1,3-4,6,11-12,14H2,(H,20,21).
What are the key properties of 4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide?
4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide has a molecular weight of 335.83 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide is sourced from PubChem (CID 87002587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).