2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide

C19H18Cl2N4O3 — CID 2983754

IUPAC2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
SMILESO=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H18Cl2N4O3/c20-12-8-13(21)10-15(9-12)23-17(26)11-16-18(27)22-6-7-25(16)19(28)24-14-4-2-1-3-5-14/h1-5,8-10,16H,6-7,11H2,(H,22,27)(H,23,26)(H,24,28)
InChIKeyYBDJHYDRUXMJBL-UHFFFAOYSA-N
MW421.28 g/mol
LogP3.35
Rot. Bonds4

About 2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide

2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide (PubChem CID 2983754) has the molecular formula C19H18Cl2N4O3 and a molecular weight of 421.28 g/mol. Its IUPAC name is 2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
PubChem CID2983754
Molecular FormulaC19H18Cl2N4O3
Molecular Weight421.28 g/mol
Exact Mass420.08
IUPAC Name2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
SMILESO=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H18Cl2N4O3/c20-12-8-13(21)10-15(9-12)23-17(26)11-16-18(27)22-6-7-25(16)19(28)24-14-4-2-1-3-5-14/h1-5,8-10,16H,6-7,11H2,(H,22,27)(H,23,26)(H,24,28)
InChIKeyYBDJHYDRUXMJBL-UHFFFAOYSA-N
XLogP3.35
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide (CID 2983754) is 2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide is O=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The InChIKey is YBDJHYDRUXMJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3/c20-12-8-13(21)10-15(9-12)23-17(26)11-16-18(27)22-6-7-25(16)19(28)24-14-4-2-1-3-5-14/h1-5,8-10,16H,6-7,11H2,(H,22,27)(H,23,26)(H,24,28).
What are the key properties of 2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide has a molecular weight of 421.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 2983754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).