4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride

C18H21ClN2O3 — CID 67239468

IUPAC4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2ccc(C3CNCCO3)cc2)cc1.Cl
InChIInChI=1S/C18H20N2O3.ClH/c1-22-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-23-17;/h2-9,17,19H,10-12H2,1H3,(H,20,21);1H
InChIKeyNKVHYOXWHWABLS-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.03
Rot. Bonds4

About 4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride

4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride (PubChem CID 67239468) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
PubChem CID67239468
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2ccc(C3CNCCO3)cc2)cc1.Cl
InChIInChI=1S/C18H20N2O3.ClH/c1-22-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-23-17;/h2-9,17,19H,10-12H2,1H3,(H,20,21);1H
InChIKeyNKVHYOXWHWABLS-UHFFFAOYSA-N
XLogP3.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride?
The IUPAC name of 4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride (CID 67239468) is 4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride is COc1ccc(C(=O)Nc2ccc(C3CNCCO3)cc2)cc1.Cl.
What is the InChIKey of 4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride?
The InChIKey is NKVHYOXWHWABLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3.ClH/c1-22-16-8-4-14(5-9-16)18(21)20-15-6-2-13(3-7-15)17-12-19-10-11-23-17;/h2-9,17,19H,10-12H2,1H3,(H,20,21);1H.
What are the key properties of 4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride?
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride is sourced from PubChem (CID 67239468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).