4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide

C20H22ClN3O3 — CID 53146055

IUPAC4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2cccc(Cl)c2)c(N2CCOCC2)c1
InChIInChI=1S/C20H22ClN3O3/c1-14(25)23-17-5-6-18(19(12-17)24-7-9-27-10-8-24)20(26)22-13-15-3-2-4-16(21)11-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyATTYJYDUHNXPME-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.07
Rot. Bonds5

About 4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide

4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide (PubChem CID 53146055) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide
PubChem CID53146055
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2cccc(Cl)c2)c(N2CCOCC2)c1
InChIInChI=1S/C20H22ClN3O3/c1-14(25)23-17-5-6-18(19(12-17)24-7-9-27-10-8-24)20(26)22-13-15-3-2-4-16(21)11-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyATTYJYDUHNXPME-UHFFFAOYSA-N
XLogP3.07
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of 4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide (CID 53146055) is 4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for 4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for 4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide is CC(=O)Nc1ccc(C(=O)NCc2cccc(Cl)c2)c(N2CCOCC2)c1.
What is the InChIKey of 4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide?
The InChIKey is ATTYJYDUHNXPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-14(25)23-17-5-6-18(19(12-17)24-7-9-27-10-8-24)20(26)22-13-15-3-2-4-16(21)11-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide?
4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide has a molecular weight of 387.87 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(3-chlorophenyl)methyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 53146055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).