N-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide

C19H18F2N4O3 — CID 59486283

IUPACN-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide
SMILESNC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1F
InChIInChI=1S/C19H18F2N4O3/c20-13-3-1-2-12(10-13)18(27)24-6-8-25(9-7-24)19(28)23-14-4-5-15(17(22)26)16(21)11-14/h1-5,10-11H,6-9H2,(H2,22,26)(H,23,28)
InChIKeyGEEBJCBVPJVPON-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.05
Rot. Bonds3

About N-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide

N-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide (PubChem CID 59486283) has the molecular formula C19H18F2N4O3 and a molecular weight of 388.37 g/mol. Its IUPAC name is N-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide
PubChem CID59486283
Molecular FormulaC19H18F2N4O3
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC NameN-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide
SMILESNC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1F
InChIInChI=1S/C19H18F2N4O3/c20-13-3-1-2-12(10-13)18(27)24-6-8-25(9-7-24)19(28)23-14-4-5-15(17(22)26)16(21)11-14/h1-5,10-11H,6-9H2,(H2,22,26)(H,23,28)
InChIKeyGEEBJCBVPJVPON-UHFFFAOYSA-N
XLogP2.05
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide (CID 59486283) is N-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide is NC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1F.
What is the InChIKey of N-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide?
The InChIKey is GEEBJCBVPJVPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3/c20-13-3-1-2-12(10-13)18(27)24-6-8-25(9-7-24)19(28)23-14-4-5-15(17(22)26)16(21)11-14/h1-5,10-11H,6-9H2,(H2,22,26)(H,23,28).
What are the key properties of N-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide?
N-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide has a molecular weight of 388.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-fluorophenyl)-4-(3-fluorobenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 59486283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).