5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide

C28H31Cl2N3O4 — CID 22049362

IUPAC5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCNC(=O)c3coc(Oc4cc(Cl)cc(Cl)c4)c3)CC2)c1
InChIInChI=1S/C28H31Cl2N3O4/c1-18(2)27(34)32-24-5-3-4-20(12-24)19-6-9-33(10-7-19)11-8-31-28(35)21-13-26(36-17-21)37-25-15-22(29)14-23(30)16-25/h3-5,12-19H,6-11H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyCHLWKOZVRWROFV-UHFFFAOYSA-N
MW544.48 g/mol
LogP6.58
Rot. Bonds9

About 5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide

5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide (PubChem CID 22049362) has the molecular formula C28H31Cl2N3O4 and a molecular weight of 544.48 g/mol. Its IUPAC name is 5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide
PubChem CID22049362
Molecular FormulaC28H31Cl2N3O4
Molecular Weight544.48 g/mol
Exact Mass543.17
IUPAC Name5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(CCNC(=O)c3coc(Oc4cc(Cl)cc(Cl)c4)c3)CC2)c1
InChIInChI=1S/C28H31Cl2N3O4/c1-18(2)27(34)32-24-5-3-4-20(12-24)19-6-9-33(10-7-19)11-8-31-28(35)21-13-26(36-17-21)37-25-15-22(29)14-23(30)16-25/h3-5,12-19H,6-11H2,1-2H3,(H,31,35)(H,32,34)
InChIKeyCHLWKOZVRWROFV-UHFFFAOYSA-N
XLogP6.58
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.48
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dichloro-N-[4-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]butyl]benzamide
CID 22048745
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16757469
N-[3-[1-[2-(3-chlorophenoxy)-2-phenylethyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048834
2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide
CID 142203721
2-(4-chlorophenyl)-2-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]propanamide
CID 10458014
N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049344
5-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 22048939
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
2-methyl-N-[3-[1-(5-oxo-5-phenylpentyl)piperidin-4-yl]phenyl]propanamide
CID 22049393
N-[3-[1-[3-(1-anilinoethenylamino)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 89383026
6-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]hexyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 22048795
3-(2-chlorophenyl)-5-methyl-N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]-6,7-dihydrooxazepine-4-carboxamide
CID 142203420

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide?
The IUPAC name of 5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide (CID 22049362) is 5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for 5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide is CC(C)C(=O)Nc1cccc(C2CCN(CCNC(=O)c3coc(Oc4cc(Cl)cc(Cl)c4)c3)CC2)c1.
What is the InChIKey of 5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide?
The InChIKey is CHLWKOZVRWROFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31Cl2N3O4/c1-18(2)27(34)32-24-5-3-4-20(12-24)19-6-9-33(10-7-19)11-8-31-28(35)21-13-26(36-17-21)37-25-15-22(29)14-23(30)16-25/h3-5,12-19H,6-11H2,1-2H3,(H,31,35)(H,32,34).
What are the key properties of 5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide?
5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide has a molecular weight of 544.48 g/mol, XLogP of 6.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenoxy)-N-[2-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 22049362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).