2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide

C18H16Cl3N3O3 — CID 4846665

IUPAC2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCc1cccc(Cl)c1
InChIInChI=1S/C18H16Cl3N3O3/c19-12-3-1-2-11(6-12)8-22-16(25)9-23-17(26)10-24-18(27)14-5-4-13(20)7-15(14)21/h1-7H,8-10H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyFQFVDXQNPSOOCH-UHFFFAOYSA-N
MW428.70 g/mol
LogP2.81
Rot. Bonds7

About 2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide

2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 4846665) has the molecular formula C18H16Cl3N3O3 and a molecular weight of 428.70 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID4846665
Molecular FormulaC18H16Cl3N3O3
Molecular Weight428.70 g/mol
Exact Mass427.03
IUPAC Name2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCc1cccc(Cl)c1
InChIInChI=1S/C18H16Cl3N3O3/c19-12-3-1-2-11(6-12)8-22-16(25)9-23-17(26)10-24-18(27)14-5-4-13(20)7-15(14)21/h1-7H,8-10H2,(H,22,25)(H,23,26)(H,24,27)
InChIKeyFQFVDXQNPSOOCH-UHFFFAOYSA-N
XLogP2.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.70
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 4846665) is 2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCc1cccc(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is FQFVDXQNPSOOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3N3O3/c19-12-3-1-2-11(6-12)8-22-16(25)9-23-17(26)10-24-18(27)14-5-4-13(20)7-15(14)21/h1-7H,8-10H2,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide?
2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 428.70 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4846665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).