N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide

C20H17F3N2O3 — CID 19434934

IUPACN-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F
InChIInChI=1S/C20H17F3N2O3/c1-20(2,3)19(27)25-13-5-4-9(6-10(13)21)15-8-14(26)16-17(24)11(22)7-12(23)18(16)28-15/h4-8H,24H2,1-3H3,(H,25,27)
InChIKeyBGRUNZOUAIIJGA-UHFFFAOYSA-N
MW390.36 g/mol
LogP4.44
Rot. Bonds2

About N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide

N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide (PubChem CID 19434934) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide
PubChem CID19434934
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC NameN-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F
InChIInChI=1S/C20H17F3N2O3/c1-20(2,3)19(27)25-13-5-4-9(6-10(13)21)15-8-14(26)16-17(24)11(22)7-12(23)18(16)28-15/h4-8H,24H2,1-3H3,(H,25,27)
InChIKeyBGRUNZOUAIIJGA-UHFFFAOYSA-N
XLogP4.44
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide
CID 19434995
tert-butyl N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]carbamate
CID 19434972
N-[4-[5-(4-chlorobutylamino)-6,8-difluoro-4-oxochromen-2-yl]-2-fluorophenyl]-2,2-dimethylpropanamide
CID 19434948
N-[4-[5-(3-chloropropylamino)-6,8-difluoro-4-oxochromen-2-yl]-2-fluorophenyl]-2,2-dimethylpropanamide
CID 19434997
ethyl 4-[[2-[4-(2,2-dimethylpropanoylamino)-3-fluorophenyl]-6,8-difluoro-4-oxochromen-5-yl]amino]butanoate
CID 19435006
N-[4-[5-[3-(diethylamino)propylamino]-6,8-difluoro-4-oxochromen-2-yl]-2-fluorophenyl]-2,2-dimethylpropanamide
CID 19434841
5-amino-2-[4-(3-chloropropylamino)-3-fluorophenyl]-6,8-difluorochromen-4-one
CID 19434846
N-[4-[7-(dimethylamino)-5-[2,2-dimethylpropanoyl(methyl)amino]-6,8-difluoro-4-oxochromen-2-yl]-2-fluorophenyl]-2,2-dimethylpropanamide
CID 19434789
N-[2-fluoro-4-[5-(hexylamino)-7-methyl-4-oxochromen-2-yl]phenyl]-2,2-dimethylpropanamide
CID 150350051
N-[4-[5-(2,2-dimethylpropanoylamino)-6,8-difluoro-7-methyl-4-oxochromen-2-yl]-2-ethylphenyl]-2,2-dimethylpropanamide
CID 19434867
5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one
CID 19434996
N-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide
CID 19435005

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide (CID 19434934) is N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F.
What is the InChIKey of N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide?
The InChIKey is BGRUNZOUAIIJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-20(2,3)19(27)25-13-5-4-9(6-10(13)21)15-8-14(26)16-17(24)11(22)7-12(23)18(16)28-15/h4-8H,24H2,1-3H3,(H,25,27).
What are the key properties of N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide?
N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide has a molecular weight of 390.36 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 19434934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).