N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide

C20H23ClN2O2 — CID 43908262

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-22(14-16-4-8-19(21)9-5-16)20(24)18-6-2-17(3-7-18)15-23-10-12-25-13-11-23/h2-9H,10-15H2,1H3
InChIKeyIOOPHCSDBMFLCW-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.44
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide

N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 43908262) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
PubChem CID43908262
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-22(14-16-4-8-19(21)9-5-16)20(24)18-6-2-17(3-7-18)15-23-10-12-25-13-11-23/h2-9H,10-15H2,1H3
InChIKeyIOOPHCSDBMFLCW-UHFFFAOYSA-N
XLogP3.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide (CID 43908262) is N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide is CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is IOOPHCSDBMFLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-22(14-16-4-8-19(21)9-5-16)20(24)18-6-2-17(3-7-18)15-23-10-12-25-13-11-23/h2-9H,10-15H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide?
N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 358.87 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 43908262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).