2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide

C17H20ClNO3 — CID 53285212

IUPAC2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)NCCCc1ccco1
InChIInChI=1S/C17H20ClNO3/c1-2-16(22-15-9-7-13(18)8-10-15)17(20)19-11-3-5-14-6-4-12-21-14/h4,6-10,12,16H,2-3,5,11H2,1H3,(H,19,20)
InChIKeyKSNAGQZGTMTWCG-UHFFFAOYSA-N
MW321.80 g/mol
LogP3.84
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide

2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide (PubChem CID 53285212) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
PubChem CID53285212
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)NCCCc1ccco1
InChIInChI=1S/C17H20ClNO3/c1-2-16(22-15-9-7-13(18)8-10-15)17(20)19-11-3-5-14-6-4-12-21-14/h4,6-10,12,16H,2-3,5,11H2,1H3,(H,19,20)
InChIKeyKSNAGQZGTMTWCG-UHFFFAOYSA-N
XLogP3.84
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 53.84
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

2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 132651550
2-(2-fluorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide
CID 53286413
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659526
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 7450116
2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
CID 132762013
2-(4-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218872
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(furan-2-ylmethyl)butanamide
CID 45148077

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide (CID 53285212) is 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide is CCC(Oc1ccc(Cl)cc1)C(=O)NCCCc1ccco1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide?
The InChIKey is KSNAGQZGTMTWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3/c1-2-16(22-15-9-7-13(18)8-10-15)17(20)19-11-3-5-14-6-4-12-21-14/h4,6-10,12,16H,2-3,5,11H2,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide?
2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide has a molecular weight of 321.80 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-(furan-2-yl)propyl]butanamide is sourced from PubChem (CID 53285212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).