N-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide

C24H17F2NO3 — CID 21463165

IUPACN-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide
SMILESCc1ccc2oc(=O)c(CC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3)c2c1
InChIInChI=1S/C24H17F2NO3/c1-14-7-10-21-17(11-14)23(15-5-3-2-4-6-15)18(24(29)30-21)13-22(28)27-20-9-8-16(25)12-19(20)26/h2-12H,13H2,1H3,(H,27,28)
InChIKeySGZFFFORIPEDLC-UHFFFAOYSA-N
MW405.40 g/mol
LogP5.23
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide

N-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide (PubChem CID 21463165) has the molecular formula C24H17F2NO3 and a molecular weight of 405.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide
PubChem CID21463165
Molecular FormulaC24H17F2NO3
Molecular Weight405.40 g/mol
Exact Mass405.12
IUPAC NameN-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide
SMILESCc1ccc2oc(=O)c(CC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3)c2c1
InChIInChI=1S/C24H17F2NO3/c1-14-7-10-21-17(11-14)23(15-5-3-2-4-6-15)18(24(29)30-21)13-22(28)27-20-9-8-16(25)12-19(20)26/h2-12H,13H2,1H3,(H,27,28)
InChIKeySGZFFFORIPEDLC-UHFFFAOYSA-N
XLogP5.23
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(6-fluoro-2-oxo-4-phenylchromen-3-yl)acetate
CID 132519209
2-(6-bromo-7-methyl-2-oxo-4-phenylchromen-3-yl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 22267271
2-(4-chloro-6-methyl-2-oxochromen-3-yl)-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 141125659
2-[6-(cyanomethyl)-7-methyl-2-oxo-4-phenylchromen-3-yl]-N-[4-methyl-2-(trifluoromethyl)phenyl]acetamide
CID 142108478
2-[7-chloro-4-(3-chlorophenyl)-6-methyl-2-oxochromen-3-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 22267268
2-[7-chloro-6-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-2-oxo-4-phenylchromen-3-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 22267273
N-(2,4-difluorophenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110410212
2-[4-(4-methoxyphenyl)-6-methyl-2-oxochromen-3-yl]acetic acid
CID 134912016
1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea
CID 10045848
ethyl 2-(6-chloro-2-oxo-4-phenylchromen-3-yl)acetate
CID 54435125
2-(7-chloro-6-methyl-2-oxo-4-phenylchromen-3-yl)-N-[4-fluoro-2-hydroxy-6-(trifluoromethyl)phenyl]acetamide
CID 87932138
2-[6-chloro-4-(3-chlorophenyl)-7-methyl-2-oxochromen-3-yl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 10187202

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide (CID 21463165) is N-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide is Cc1ccc2oc(=O)c(CC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3)c2c1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide?
The InChIKey is SGZFFFORIPEDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2NO3/c1-14-7-10-21-17(11-14)23(15-5-3-2-4-6-15)18(24(29)30-21)13-22(28)27-20-9-8-16(25)12-19(20)26/h2-12H,13H2,1H3,(H,27,28).
What are the key properties of N-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide?
N-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide has a molecular weight of 405.40 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(6-methyl-2-oxo-4-phenylchromen-3-yl)acetamide is sourced from PubChem (CID 21463165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).