2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide

C19H19ClN4O3 — CID 2954998

IUPAC2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
SMILESO=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O3/c20-13-5-4-8-15(11-13)22-17(25)12-16-18(26)21-9-10-24(16)19(27)23-14-6-2-1-3-7-14/h1-8,11,16H,9-10,12H2,(H,21,26)(H,22,25)(H,23,27)
InChIKeyOSTMZEXSXFOHTE-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.70
Rot. Bonds4

About 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide

2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide (PubChem CID 2954998) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
PubChem CID2954998
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
SMILESO=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H19ClN4O3/c20-13-5-4-8-15(11-13)22-17(25)12-16-18(26)21-9-10-24(16)19(27)23-14-6-2-1-3-7-14/h1-8,11,16H,9-10,12H2,(H,21,26)(H,22,25)(H,23,27)
InChIKeyOSTMZEXSXFOHTE-UHFFFAOYSA-N
XLogP2.70
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-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

Related Compounds

SR1848
CID 3238389
1-(3,5-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783424
2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenyltetrahydro-1(2H)-pyrazinecarboxamide
CID 2812685
4-(4-chlorophenyl)-N-cyclohexylpiperazine-1-carboxamide
CID 4416918
N-(3-Chlorophenyl)-4-phenyl-1-piperazinecarboxamide
CID 858193
N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
N-(2-Fluoro-phenyl)-2-[4-(3-phenyl-ureido)-piperidin-1-yl]-acetamide
CID 3220954
N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 687128
1'-[(3-Chlorophenyl)carbamothioyl]-1,4'-bipiperidine-4'-carboxamide
CID 1845726
N-(4-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetamide
CID 2980959
N-(3-chloro-4-fluorophenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-4-carboxamide
CID 2952265
1-(4-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783215

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide (CID 2954998) is 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide is O=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The InChIKey is OSTMZEXSXFOHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c20-13-5-4-8-15(11-13)22-17(25)12-16-18(26)21-9-10-24(16)19(27)23-14-6-2-1-3-7-14/h1-8,11,16H,9-10,12H2,(H,21,26)(H,22,25)(H,23,27).
What are the key properties of 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 2954998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).