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

C20H18FNO5 — CID 4971132

IUPAC2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide
SMILESCOc1cc(OC)c2c(C)c(CC(=O)Nc3ccc(F)cc3)c(=O)oc2c1
InChIInChI=1S/C20H18FNO5/c1-11-15(10-18(23)22-13-6-4-12(21)5-7-13)20(24)27-17-9-14(25-2)8-16(26-3)19(11)17/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyZSBNKXOKPWGRMF-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.44
Rot. Bonds5

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

2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 4971132) has the molecular formula C20H18FNO5 and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide
PubChem CID4971132
Molecular FormulaC20H18FNO5
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide
SMILESCOc1cc(OC)c2c(C)c(CC(=O)Nc3ccc(F)cc3)c(=O)oc2c1
InChIInChI=1S/C20H18FNO5/c1-11-15(10-18(23)22-13-6-4-12(21)5-7-13)20(24)27-17-9-14(25-2)8-16(26-3)19(11)17/h4-9H,10H2,1-3H3,(H,22,23)
InChIKeyZSBNKXOKPWGRMF-UHFFFAOYSA-N
XLogP3.44
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4970017
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4971234
2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 3791578
2-[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-2-phenylacetic acid
CID 4303543
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4837385
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-pyrrol-1-ylethyl)acetamide
CID 56763626
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
N-(2,4-dimethoxyphenyl)-2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4893034
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 6226280

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide (CID 4971132) is 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide is COc1cc(OC)c2c(C)c(CC(=O)Nc3ccc(F)cc3)c(=O)oc2c1.
What is the InChIKey of 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is ZSBNKXOKPWGRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5/c1-11-15(10-18(23)22-13-6-4-12(21)5-7-13)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 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide?
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 371.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 4971132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).