3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide

C20H19Cl4N3O3 — CID 991459

IUPAC3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1C(=O)NCCN1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H19Cl4N3O3/c21-12-1-2-14(16(23)10-12)20(29)26-18-15(9-13(22)11-17(18)24)19(28)25-3-4-27-5-7-30-8-6-27/h1-2,9-11H,3-8H2,(H,25,28)(H,26,29)
InChIKeyRROIEUQSJOTJCR-UHFFFAOYSA-N
MW491.20 g/mol
LogP4.61
Rot. Bonds6

About 3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide

3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 991459) has the molecular formula C20H19Cl4N3O3 and a molecular weight of 491.20 g/mol. Its IUPAC name is 3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID991459
Molecular FormulaC20H19Cl4N3O3
Molecular Weight491.20 g/mol
Exact Mass489.02
IUPAC Name3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(Nc1c(Cl)cc(Cl)cc1C(=O)NCCN1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H19Cl4N3O3/c21-12-1-2-14(16(23)10-12)20(29)26-18-15(9-13(22)11-17(18)24)19(28)25-3-4-27-5-7-30-8-6-27/h1-2,9-11H,3-8H2,(H,25,28)(H,26,29)
InChIKeyRROIEUQSJOTJCR-UHFFFAOYSA-N
XLogP4.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.20
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 991459) is 3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide is O=C(Nc1c(Cl)cc(Cl)cc1C(=O)NCCN1CCOCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is RROIEUQSJOTJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl4N3O3/c21-12-1-2-14(16(23)10-12)20(29)26-18-15(9-13(22)11-17(18)24)19(28)25-3-4-27-5-7-30-8-6-27/h1-2,9-11H,3-8H2,(H,25,28)(H,26,29).
What are the key properties of 3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide?
3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 491.20 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(2,4-dichlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 991459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).