N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide

C18H14ClNO4 — CID 42571450

IUPACN-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1
InChIInChI=1S/C18H14ClNO4/c1-23-10-18(22)20-11-6-7-16-13(8-11)15(21)9-17(24-16)12-4-2-3-5-14(12)19/h2-9H,10H2,1H3,(H,20,22)
InChIKeyRMHQNPMOTJIOEF-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.70
Rot. Bonds4

About N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide

N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide (PubChem CID 42571450) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide
PubChem CID42571450
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC NameN-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1
InChIInChI=1S/C18H14ClNO4/c1-23-10-18(22)20-11-6-7-16-13(8-11)15(21)9-17(24-16)12-4-2-3-5-14(12)19/h2-9H,10H2,1H3,(H,20,22)
InChIKeyRMHQNPMOTJIOEF-UHFFFAOYSA-N
XLogP3.70
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]acetamide
CID 42506836
2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide
CID 18568768
2-(2-chlorophenyl)-6-hydroxychromen-4-one
CID 14982999
6-chloro-2-(2-chlorophenyl)chromen-4-one
CID 688872
3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]propanamide
CID 42569824
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide
CID 16825912
N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
CID 18568687
N-(4-chloro-3-fluorophenyl)-2-methoxyacetamide
CID 60776246
4-(2-chlorophenoxy)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]butanamide
CID 108754377
N-[2-(3,4-dimethoxyphenyl)-4-oxochromen-6-yl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 95397951

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide (CID 42571450) is N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide is COCC(=O)Nc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1.
What is the InChIKey of N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide?
The InChIKey is RMHQNPMOTJIOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-23-10-18(22)20-11-6-7-16-13(8-11)15(21)9-17(24-16)12-4-2-3-5-14(12)19/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide?
N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide has a molecular weight of 343.77 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide is sourced from PubChem (CID 42571450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).