2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide

C24H17ClFNO4 — CID 21000983

IUPAC2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide
SMILESCc1cc2oc(-c3ccccc3)c(OCC(=O)Nc3ccc(F)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C24H17ClFNO4/c1-14-11-20-18(12-19(14)25)22(29)24(23(31-20)15-5-3-2-4-6-15)30-13-21(28)27-17-9-7-16(26)8-10-17/h2-12H,13H2,1H3,(H,27,28)
InChIKeySXAJGWNKWVYQCI-UHFFFAOYSA-N
MW437.85 g/mol
LogP5.58
Rot. Bonds5

About 2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide

2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide (PubChem CID 21000983) has the molecular formula C24H17ClFNO4 and a molecular weight of 437.85 g/mol. Its IUPAC name is 2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide
PubChem CID21000983
Molecular FormulaC24H17ClFNO4
Molecular Weight437.85 g/mol
Exact Mass437.08
IUPAC Name2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide
SMILESCc1cc2oc(-c3ccccc3)c(OCC(=O)Nc3ccc(F)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C24H17ClFNO4/c1-14-11-20-18(12-19(14)25)22(29)24(23(31-20)15-5-3-2-4-6-15)30-13-21(28)27-17-9-7-16(26)8-10-17/h2-12H,13H2,1H3,(H,27,28)
InChIKeySXAJGWNKWVYQCI-UHFFFAOYSA-N
XLogP5.58
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.85
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)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-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide
CID 20999730
N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 21000991
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
ethyl 4-[[2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetyl]amino]benzoate
CID 21001065
ethyl 4-[[2-[6-chloro-2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxyacetyl]amino]benzoate
CID 21001206
2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 21000993
2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide
CID 21001051
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 20999729
N-(3,5-dichlorophenyl)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 20999510
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide
CID 20999683
2-[6-chloro-2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,5-dimethylphenyl)acetamide
CID 21001210
6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 21001040

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide (CID 21000983) is 2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide is Cc1cc2oc(-c3ccccc3)c(OCC(=O)Nc3ccc(F)cc3)c(=O)c2cc1Cl.
What is the InChIKey of 2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide?
The InChIKey is SXAJGWNKWVYQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClFNO4/c1-14-11-20-18(12-19(14)25)22(29)24(23(31-20)15-5-3-2-4-6-15)30-13-21(28)27-17-9-7-16(26)8-10-17/h2-12H,13H2,1H3,(H,27,28).
What are the key properties of 2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide?
2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide has a molecular weight of 437.85 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 21000983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).