5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide

C20H23ClN2O4 — CID 110280405

IUPAC5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(COc2ccc(Cl)cc2)o1)C(=O)N1CCCCC1
InChIInChI=1S/C20H23ClN2O4/c1-14(20(25)23-11-3-2-4-12-23)22-19(24)18-10-9-17(27-18)13-26-16-7-5-15(21)6-8-16/h5-10,14H,2-4,11-13H2,1H3,(H,22,24)
InChIKeyCLWZZANBDRACDG-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.64
Rot. Bonds6

About 5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide

5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide (PubChem CID 110280405) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide
PubChem CID110280405
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(COc2ccc(Cl)cc2)o1)C(=O)N1CCCCC1
InChIInChI=1S/C20H23ClN2O4/c1-14(20(25)23-11-3-2-4-12-23)22-19(24)18-10-9-17(27-18)13-26-16-7-5-15(21)6-8-16/h5-10,14H,2-4,11-13H2,1H3,(H,22,24)
InChIKeyCLWZZANBDRACDG-UHFFFAOYSA-N
XLogP3.64
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 717019
N-(3-methylbutan-2-yl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 43048903
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 1011914
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
1-(4-chlorophenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347605
5-[(4-chlorophenoxy)methyl]furan-2-carboxylate
CID 4740544
5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 19451165
(2R)-2-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369410
methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate
CID 7919225
N-[[5-[(4-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62453746
5-[(4-chlorophenoxy)methyl]-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 19415421

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide (CID 110280405) is 5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide is CC(NC(=O)c1ccc(COc2ccc(Cl)cc2)o1)C(=O)N1CCCCC1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide?
The InChIKey is CLWZZANBDRACDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-14(20(25)23-11-3-2-4-12-23)22-19(24)18-10-9-17(27-18)13-26-16-7-5-15(21)6-8-16/h5-10,14H,2-4,11-13H2,1H3,(H,22,24).
What are the key properties of 5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide?
5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 110280405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).