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

C24H16Cl2F3N3O3 — CID 59833836

IUPACN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-methoxy-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3cc4cnccc4n(C)c3=O)c2Cl)cc1C(F)(F)F
InChIInChI=1S/C24H16Cl2F3N3O3/c1-32-18-7-8-30-11-13(18)9-14(23(32)34)20-16(25)4-5-17(21(20)26)31-22(33)12-3-6-19(35-2)15(10-12)24(27,28)29/h3-11H,1-2H3,(H,31,33)
InChIKeyVFRFKYJOFKNOLK-UHFFFAOYSA-N
MW522.31 g/mol
LogP6.19
Rot. Bonds4

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

N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-methoxy-3-(trifluoromethyl)benzamide (PubChem CID 59833836) has the molecular formula C24H16Cl2F3N3O3 and a molecular weight of 522.31 g/mol. Its IUPAC name is N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-methoxy-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-methoxy-3-(trifluoromethyl)benzamide
PubChem CID59833836
Molecular FormulaC24H16Cl2F3N3O3
Molecular Weight522.31 g/mol
Exact Mass521.05
IUPAC NameN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-methoxy-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3cc4cnccc4n(C)c3=O)c2Cl)cc1C(F)(F)F
InChIInChI=1S/C24H16Cl2F3N3O3/c1-32-18-7-8-30-11-13(18)9-14(23(32)34)20-16(25)4-5-17(21(20)26)31-22(33)12-3-6-19(35-2)15(10-12)24(27,28)29/h3-11H,1-2H3,(H,31,33)
InChIKeyVFRFKYJOFKNOLK-UHFFFAOYSA-N
XLogP6.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.31
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-methoxy-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-methoxy-3-(trifluoromethyl)benzamide (CID 59833836) is N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-methoxy-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-methoxy-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-methoxy-3-(trifluoromethyl)benzamide is COc1ccc(C(=O)Nc2ccc(Cl)c(-c3cc4cnccc4n(C)c3=O)c2Cl)cc1C(F)(F)F.
What is the InChIKey of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-methoxy-3-(trifluoromethyl)benzamide?
The InChIKey is VFRFKYJOFKNOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2F3N3O3/c1-32-18-7-8-30-11-13(18)9-14(23(32)34)20-16(25)4-5-17(21(20)26)31-22(33)12-3-6-19(35-2)15(10-12)24(27,28)29/h3-11H,1-2H3,(H,31,33).
What are the key properties of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-methoxy-3-(trifluoromethyl)benzamide?
N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-methoxy-3-(trifluoromethyl)benzamide has a molecular weight of 522.31 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-methoxy-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 59833836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).