3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide

C22H14BrCl2N3O2 — CID 59833874

IUPAC3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
SMILESCn1c(=O)c(-c2c(Cl)ccc(NC(=O)c3cccc(Br)c3)c2Cl)cc2cnccc21
InChIInChI=1S/C22H14BrCl2N3O2/c1-28-18-7-8-26-11-13(18)10-15(22(28)30)19-16(24)5-6-17(20(19)25)27-21(29)12-3-2-4-14(23)9-12/h2-11H,1H3,(H,27,29)
InChIKeyFSANNPVOLNODTG-UHFFFAOYSA-N
MW503.18 g/mol
LogP5.92
Rot. Bonds3

About 3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide

3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide (PubChem CID 59833874) has the molecular formula C22H14BrCl2N3O2 and a molecular weight of 503.18 g/mol. Its IUPAC name is 3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
PubChem CID59833874
Molecular FormulaC22H14BrCl2N3O2
Molecular Weight503.18 g/mol
Exact Mass500.96
IUPAC Name3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
SMILESCn1c(=O)c(-c2c(Cl)ccc(NC(=O)c3cccc(Br)c3)c2Cl)cc2cnccc21
InChIInChI=1S/C22H14BrCl2N3O2/c1-28-18-7-8-26-11-13(18)10-15(22(28)30)19-16(24)5-6-17(20(19)25)27-21(29)12-3-2-4-14(23)9-12/h2-11H,1H3,(H,27,29)
InChIKeyFSANNPVOLNODTG-UHFFFAOYSA-N
XLogP5.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.18
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide with MolForge

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Related Compounds

N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
CID 59833886
N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide
CID 59833938
N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide
CID 143032077
N-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 59833883
N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide
CID 59833815
N-[2,4-dichloro-3-[8-methyl-2-(3-methylsulfanylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 59833850
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
3-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107626124
N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide
CID 51321405
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
CID 47408337

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide (CID 59833874) is 3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide is Cn1c(=O)c(-c2c(Cl)ccc(NC(=O)c3cccc(Br)c3)c2Cl)cc2cnccc21.
What is the InChIKey of 3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide?
The InChIKey is FSANNPVOLNODTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrCl2N3O2/c1-28-18-7-8-26-11-13(18)10-15(22(28)30)19-16(24)5-6-17(20(19)25)27-21(29)12-3-2-4-14(23)9-12/h2-11H,1H3,(H,27,29).
What are the key properties of 3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide?
3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide has a molecular weight of 503.18 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide is sourced from PubChem (CID 59833874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).