4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide

C17H16Cl2N2O2 — CID 1114260

IUPAC4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c18-13-3-1-12(2-4-13)17(22)20-14-5-6-16(15(19)11-14)21-7-9-23-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyOQWYBMHNBITLBX-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.08
Rot. Bonds3

About 4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide

4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide (PubChem CID 1114260) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
PubChem CID1114260
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c18-13-3-1-12(2-4-13)17(22)20-14-5-6-16(15(19)11-14)21-7-9-23-10-8-21/h1-6,11H,7-10H2,(H,20,22)
InChIKeyOQWYBMHNBITLBX-UHFFFAOYSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide (CID 1114260) is 4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide is O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide?
The InChIKey is OQWYBMHNBITLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-13-3-1-12(2-4-13)17(22)20-14-5-6-16(15(19)11-14)21-7-9-23-10-8-21/h1-6,11H,7-10H2,(H,20,22).
What are the key properties of 4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide?
4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide has a molecular weight of 351.23 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 1114260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).