N-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide

C19H18ClFN4O3 — CID 2982732

IUPACN-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESO=C(CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C19H18ClFN4O3/c20-12-1-5-15(6-2-12)24-19(28)25-10-9-22-18(27)16(25)11-17(26)23-14-7-3-13(21)4-8-14/h1-8,16H,9-11H2,(H,22,27)(H,23,26)(H,24,28)
InChIKeyMOLPQOZCSNHRFH-UHFFFAOYSA-N
MW404.83 g/mol
LogP2.84
Rot. Bonds4

About N-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide

N-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide (PubChem CID 2982732) has the molecular formula C19H18ClFN4O3 and a molecular weight of 404.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
PubChem CID2982732
Molecular FormulaC19H18ClFN4O3
Molecular Weight404.83 g/mol
Exact Mass404.11
IUPAC NameN-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESO=C(CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C19H18ClFN4O3/c20-12-1-5-15(6-2-12)24-19(28)25-10-9-22-18(27)16(25)11-17(26)23-14-7-3-13(21)4-8-14/h1-8,16H,9-11H2,(H,22,27)(H,23,26)(H,24,28)
InChIKeyMOLPQOZCSNHRFH-UHFFFAOYSA-N
XLogP2.84
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.83
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide (CID 2982732) is N-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide is O=C(CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is MOLPQOZCSNHRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O3/c20-12-1-5-15(6-2-12)24-19(28)25-10-9-22-18(27)16(25)11-17(26)23-14-7-3-13(21)4-8-14/h1-8,16H,9-11H2,(H,22,27)(H,23,26)(H,24,28).
What are the key properties of N-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
N-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 404.83 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 2982732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).