4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide

C18H19ClN2O2 — CID 53251093

IUPAC4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide
SMILESCN1CCOC(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C18H19ClN2O2/c1-21-10-11-23-17(12-21)13-4-8-16(9-5-13)20-18(22)14-2-6-15(19)7-3-14/h2-9,17H,10-12H2,1H3,(H,20,22)
InChIKeyVOZQHLYMVCHQST-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.60
Rot. Bonds3

About 4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide

4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide (PubChem CID 53251093) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide
PubChem CID53251093
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide
SMILESCN1CCOC(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C18H19ClN2O2/c1-21-10-11-23-17(12-21)13-4-8-16(9-5-13)20-18(22)14-2-6-15(19)7-3-14/h2-9,17H,10-12H2,1H3,(H,20,22)
InChIKeyVOZQHLYMVCHQST-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide (CID 53251093) is 4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide is CN1CCOC(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide?
The InChIKey is VOZQHLYMVCHQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-21-10-11-23-17(12-21)13-4-8-16(9-5-13)20-18(22)14-2-6-15(19)7-3-14/h2-9,17H,10-12H2,1H3,(H,20,22).
What are the key properties of 4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide?
4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-methylmorpholin-2-yl)phenyl]benzamide is sourced from PubChem (CID 53251093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).