N-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide

C20H16Br2F2N2O3 — CID 19434931

IUPACN-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(F)cc(F)c2oc(-c3cc(Br)c(N)c(Br)c3)cc(=O)c12
InChIInChI=1S/C20H16Br2F2N2O3/c1-20(2,3)19(28)26-17-11(23)6-12(24)18-15(17)13(27)7-14(29-18)8-4-9(21)16(25)10(22)5-8/h4-7H,25H2,1-3H3,(H,26,28)
InChIKeyPFDWKHBFQFUGIK-UHFFFAOYSA-N
MW530.16 g/mol
LogP5.83
Rot. Bonds2

About N-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide

N-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide (PubChem CID 19434931) has the molecular formula C20H16Br2F2N2O3 and a molecular weight of 530.16 g/mol. Its IUPAC name is N-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide
PubChem CID19434931
Molecular FormulaC20H16Br2F2N2O3
Molecular Weight530.16 g/mol
Exact Mass527.95
IUPAC NameN-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(F)cc(F)c2oc(-c3cc(Br)c(N)c(Br)c3)cc(=O)c12
InChIInChI=1S/C20H16Br2F2N2O3/c1-20(2,3)19(28)26-17-11(23)6-12(24)18-15(17)13(27)7-14(29-18)8-4-9(21)16(25)10(22)5-8/h4-7H,25H2,1-3H3,(H,26,28)
InChIKeyPFDWKHBFQFUGIK-UHFFFAOYSA-N
XLogP5.83
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.16
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide (CID 19434931) is N-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1c(F)cc(F)c2oc(-c3cc(Br)c(N)c(Br)c3)cc(=O)c12.
What is the InChIKey of N-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide?
The InChIKey is PFDWKHBFQFUGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2F2N2O3/c1-20(2,3)19(28)26-17-11(23)6-12(24)18-15(17)13(27)7-14(29-18)8-4-9(21)16(25)10(22)5-8/h4-7H,25H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide?
N-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide has a molecular weight of 530.16 g/mol, XLogP of 5.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-3,5-dibromophenyl)-6,8-difluoro-4-oxochromen-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 19434931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).