N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide

C25H22Cl2N2O4 — CID 55956380

IUPACN-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H22Cl2N2O4/c1-15-4-5-18(14-21(15)28-24(31)22-3-2-12-33-22)25(32)29-10-8-16(9-11-29)23(30)17-6-7-19(26)20(27)13-17/h2-7,12-14,16H,8-11H2,1H3,(H,28,31)
InChIKeyORLDVILRLJXXSL-UHFFFAOYSA-N
MW485.37 g/mol
LogP5.88
Rot. Bonds5

About N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 55956380) has the molecular formula C25H22Cl2N2O4 and a molecular weight of 485.37 g/mol. Its IUPAC name is N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID55956380
Molecular FormulaC25H22Cl2N2O4
Molecular Weight485.37 g/mol
Exact Mass484.10
IUPAC NameN-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C25H22Cl2N2O4/c1-15-4-5-18(14-21(15)28-24(31)22-3-2-12-33-22)25(32)29-10-8-16(9-11-29)23(30)17-6-7-19(26)20(27)13-17/h2-7,12-14,16H,8-11H2,1H3,(H,28,31)
InChIKeyORLDVILRLJXXSL-UHFFFAOYSA-N
XLogP5.88
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.37
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 119422876
N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 37019545
N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 120659344
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 9154613
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148221
N-[2-methyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 119394743
3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 55634715
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 17454978
N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 75512395
N-[5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 25476963
N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide
CID 55723196

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide (CID 55956380) is N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is ORLDVILRLJXXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2O4/c1-15-4-5-18(14-21(15)28-24(31)22-3-2-12-33-22)25(32)29-10-8-16(9-11-29)23(30)17-6-7-19(26)20(27)13-17/h2-7,12-14,16H,8-11H2,1H3,(H,28,31).
What are the key properties of N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 485.37 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 55956380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).