5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide

C22H20Cl2N2O2 — CID 5070053

IUPAC5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C22H20Cl2N2O2/c23-18-6-4-5-17(21(18)24)19-11-12-20(28-19)22(27)25-15-7-9-16(10-8-15)26-13-2-1-3-14-26/h4-12H,1-3,13-14H2,(H,25,27)
InChIKeyWNGUTVCOMPRXJI-UHFFFAOYSA-N
MW415.32 g/mol
LogP6.50
Rot. Bonds4

About 5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide

5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide (PubChem CID 5070053) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide
PubChem CID5070053
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C22H20Cl2N2O2/c23-18-6-4-5-17(21(18)24)19-11-12-20(28-19)22(27)25-15-7-9-16(10-8-15)26-13-2-1-3-14-26/h4-12H,1-3,13-14H2,(H,25,27)
InChIKeyWNGUTVCOMPRXJI-UHFFFAOYSA-N
XLogP6.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(2,3-dichlorophenyl)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17319475
N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 100829850
5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
CID 2914733
5-(2,3-dichlorophenyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1323463
5-(2,3-dichlorophenyl)-N-[[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide
CID 1396312
N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17319211
5-(2,3-dichlorophenyl)-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]furan-2-carboxamide
CID 4234447
N-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]-5-(2-chlorophenyl)furan-2-carboxamide
CID 17092847
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17272468
5-(2,5-dichlorophenyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 17118271
5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 25276463
N-[(4-acetylphenyl)carbamothioyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1395394

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide (CID 5070053) is 5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide?
The InChIKey is WNGUTVCOMPRXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c23-18-6-4-5-17(21(18)24)19-11-12-20(28-19)22(27)25-15-7-9-16(10-8-15)26-13-2-1-3-14-26/h4-12H,1-3,13-14H2,(H,25,27).
What are the key properties of 5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide?
5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide has a molecular weight of 415.32 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 5070053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).