N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide

C20H18ClNO5 — CID 4970017

IUPACN-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCOc1cc(OC)c2c(C)c(CC(=O)Nc3cccc(Cl)c3)c(=O)oc2c1
InChIInChI=1S/C20H18ClNO5/c1-11-15(10-18(23)22-13-6-4-5-12(21)7-13)20(24)27-17-9-14(25-2)8-16(26-3)19(11)17/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyMOEDGDYSPVDBAL-UHFFFAOYSA-N
MW387.82 g/mol
LogP3.95
Rot. Bonds5

About N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide

N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide (PubChem CID 4970017) has the molecular formula C20H18ClNO5 and a molecular weight of 387.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
PubChem CID4970017
Molecular FormulaC20H18ClNO5
Molecular Weight387.82 g/mol
Exact Mass387.09
IUPAC NameN-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCOc1cc(OC)c2c(C)c(CC(=O)Nc3cccc(Cl)c3)c(=O)oc2c1
InChIInChI=1S/C20H18ClNO5/c1-11-15(10-18(23)22-13-6-4-5-12(21)7-13)20(24)27-17-9-14(25-2)8-16(26-3)19(11)17/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyMOEDGDYSPVDBAL-UHFFFAOYSA-N
XLogP3.95
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide 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-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide
CID 4971132
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(1-methylindol-4-yl)acetamide
CID 52905120
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4837385
2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 3791578
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4971234
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 4914133
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 6227079
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4964394
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 4869246
3-[(4-iodophenyl)methyl]-5,7-dimethoxy-4-methylchromen-2-one
CID 62707017
N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112986980
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 40918188

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide (CID 4970017) is N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide is COc1cc(OC)c2c(C)c(CC(=O)Nc3cccc(Cl)c3)c(=O)oc2c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide?
The InChIKey is MOEDGDYSPVDBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO5/c1-11-15(10-18(23)22-13-6-4-5-12(21)7-13)20(24)27-17-9-14(25-2)8-16(26-3)19(11)17/h4-9H,10H2,1-3H3,(H,22,23).
What are the key properties of N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide?
N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide has a molecular weight of 387.82 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 4970017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).