N-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide

C16H14ClNO3 — CID 836490

IUPACN-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C16H14ClNO3/c1-21-10-15(19)18-14-8-7-12(17)9-13(14)16(20)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)
InChIKeyGYXDEHUPMLFIPD-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.16
Rot. Bonds5

About N-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide

N-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide (PubChem CID 836490) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide
PubChem CID836490
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C16H14ClNO3/c1-21-10-15(19)18-14-8-7-12(17)9-13(14)16(20)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)
InChIKeyGYXDEHUPMLFIPD-UHFFFAOYSA-N
XLogP3.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide (CID 836490) is N-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide is COCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide?
The InChIKey is GYXDEHUPMLFIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-21-10-15(19)18-14-8-7-12(17)9-13(14)16(20)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide?
N-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide has a molecular weight of 303.75 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-methoxyacetamide is sourced from PubChem (CID 836490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).