N-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide

C20H16Cl2F2N2O3 — CID 19435005

IUPACN-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(Cl)cc(-c2cc(=O)c3cc(F)c(N)c(F)c3o2)cc1Cl
InChIInChI=1S/C20H16Cl2F2N2O3/c1-20(2,3)19(28)26-17-10(21)4-8(5-11(17)22)14-7-13(27)9-6-12(23)16(25)15(24)18(9)29-14/h4-7H,25H2,1-3H3,(H,26,28)
InChIKeyFFAMSBNZQUBMMI-UHFFFAOYSA-N
MW441.26 g/mol
LogP5.61
Rot. Bonds2

About N-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide

N-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide (PubChem CID 19435005) has the molecular formula C20H16Cl2F2N2O3 and a molecular weight of 441.26 g/mol. Its IUPAC name is N-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide
PubChem CID19435005
Molecular FormulaC20H16Cl2F2N2O3
Molecular Weight441.26 g/mol
Exact Mass440.05
IUPAC NameN-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(Cl)cc(-c2cc(=O)c3cc(F)c(N)c(F)c3o2)cc1Cl
InChIInChI=1S/C20H16Cl2F2N2O3/c1-20(2,3)19(28)26-17-10(21)4-8(5-11(17)22)14-7-13(27)9-6-12(23)16(25)15(24)18(9)29-14/h4-7H,25H2,1-3H3,(H,26,28)
InChIKeyFFAMSBNZQUBMMI-UHFFFAOYSA-N
XLogP5.61
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.26
LogP ≤ 55.61
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-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide
CID 19434934
N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxochromen-2-yl)-2-fluorophenyl]-2,2-dimethylpropanamide
CID 19434995
N-[4-[5-(2,2-dimethylpropanoylamino)-6,8-difluoro-7-methyl-4-oxochromen-2-yl]-2-ethylphenyl]-2,2-dimethylpropanamide
CID 19434867
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
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
tert-butyl N-[4-(5-amino-6,8-difluoro-4-oxochromen-2-yl)-2-fluorophenyl]carbamate
CID 19434972
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-(3,5-dichloro-4-pyridinyl)-2,2-dimethylpropanamide
CID 59829116
2-chloro-3-(2,2-dimethylpropanoylamino)-5-fluoro-4-methylbenzoic acid
CID 88546378
ethyl 4-[[2-[4-(2,2-dimethylpropanoylamino)-3-fluorophenyl]-6,8-difluoro-4-oxochromen-5-yl]amino]butanoate
CID 19435006
3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 83079158

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide (CID 19435005) is N-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1c(Cl)cc(-c2cc(=O)c3cc(F)c(N)c(F)c3o2)cc1Cl.
What is the InChIKey of N-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide?
The InChIKey is FFAMSBNZQUBMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2F2N2O3/c1-20(2,3)19(28)26-17-10(21)4-8(5-11(17)22)14-7-13(27)9-6-12(23)16(25)15(24)18(9)29-14/h4-7H,25H2,1-3H3,(H,26,28).
What are the key properties of N-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide?
N-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide has a molecular weight of 441.26 g/mol, XLogP of 5.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-amino-6,8-difluoro-4-oxochromen-2-yl)-2,6-dichlorophenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 19435005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).