2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide

C25H22ClFN4O3 — CID 129226922

IUPAC2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide
SMILESNC(=O)c1ccccc1-c1ccc(N2CCCC(NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1
InChIInChI=1S/C25H22ClFN4O3/c26-16-8-10-17(11-9-16)29-25(34)30-21-6-3-13-31(24(21)33)22-12-7-15(14-20(22)27)18-4-1-2-5-19(18)23(28)32/h1-2,4-5,7-12,14,21H,3,6,13H2,(H2,28,32)(H2,29,30,34)
InChIKeyXXTALGDGUPQNQI-UHFFFAOYSA-N
MW480.93 g/mol
LogP4.56
Rot. Bonds5

About 2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide

2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide (PubChem CID 129226922) has the molecular formula C25H22ClFN4O3 and a molecular weight of 480.93 g/mol. Its IUPAC name is 2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide.

Molecular Properties

Compound Name2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide
PubChem CID129226922
Molecular FormulaC25H22ClFN4O3
Molecular Weight480.93 g/mol
Exact Mass480.14
IUPAC Name2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide
SMILESNC(=O)c1ccccc1-c1ccc(N2CCCC(NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1
InChIInChI=1S/C25H22ClFN4O3/c26-16-8-10-17(11-9-16)29-25(34)30-21-6-3-13-31(24(21)33)22-12-7-15(14-20(22)27)18-4-1-2-5-19(18)23(28)32/h1-2,4-5,7-12,14,21H,3,6,13H2,(H2,28,32)(H2,29,30,34)
InChIKeyXXTALGDGUPQNQI-UHFFFAOYSA-N
XLogP4.56
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.93
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide?
The IUPAC name of 2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide (CID 129226922) is 2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide.
What is the SMILES notation for 2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide?
The canonical SMILES for 2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide is NC(=O)c1ccccc1-c1ccc(N2CCCC(NC(=O)Nc3ccc(Cl)cc3)C2=O)c(F)c1.
What is the InChIKey of 2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide?
The InChIKey is XXTALGDGUPQNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN4O3/c26-16-8-10-17(11-9-16)29-25(34)30-21-6-3-13-31(24(21)33)22-12-7-15(14-20(22)27)18-4-1-2-5-19(18)23(28)32/h1-2,4-5,7-12,14,21H,3,6,13H2,(H2,28,32)(H2,29,30,34).
What are the key properties of 2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide?
2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide has a molecular weight of 480.93 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide is sourced from PubChem (CID 129226922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).