4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide

C17H18ClNO3 — CID 6462098

IUPAC4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO3/c1-21-11-10-19-17(20)13-6-8-15(9-7-13)22-12-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyQMNOFEQBBAZWHL-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.30
Rot. Bonds7

About 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide

4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide (PubChem CID 6462098) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide
PubChem CID6462098
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO3/c1-21-11-10-19-17(20)13-6-8-15(9-7-13)22-12-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyQMNOFEQBBAZWHL-UHFFFAOYSA-N
XLogP3.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 6462842
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(2-methoxyethylamino)acetamide
CID 119738642
4-[(2-chlorophenyl)methoxy]-N-(3,5-dimethylphenyl)benzamide
CID 8813300
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836241
4-[(2-chlorophenyl)methoxy]-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 132763399
4-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 8813320
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-[(2-chlorophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 56919566
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54832614
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide (CID 6462098) is 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide?
The InChIKey is QMNOFEQBBAZWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-11-10-19-17(20)13-6-8-15(9-7-13)22-12-14-4-2-3-5-16(14)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide?
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide has a molecular weight of 319.79 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 6462098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).