N'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide

C20H24ClN3O3 — CID 16887326

IUPACN'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-14-4-5-16(11-18(14)21)23-20(26)19(25)22-12-15-6-8-24(9-7-15)13-17-3-2-10-27-17/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyABKQPERDCIJPHA-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.21
Rot. Bonds5

About N'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide

N'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16887326) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16887326
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-14-4-5-16(11-18(14)21)23-20(26)19(25)22-12-15-6-8-24(9-7-15)13-17-3-2-10-27-17/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyABKQPERDCIJPHA-UHFFFAOYSA-N
XLogP3.21
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide (CID 16887326) is N'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide is Cc1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is ABKQPERDCIJPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-14-4-5-16(11-18(14)21)23-20(26)19(25)22-12-15-6-8-24(9-7-15)13-17-3-2-10-27-17/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide?
N'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 389.88 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16887326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).