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

C23H14Cl2F3N3O2 — CID 11156106

IUPACN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1c(=O)c(-c2c(Cl)ccc(NC(=O)c3cccc(C(F)(F)F)c3)c2Cl)cc2cnccc21
InChIInChI=1S/C23H14Cl2F3N3O2/c1-31-18-7-8-29-11-13(18)10-15(22(31)33)19-16(24)5-6-17(20(19)25)30-21(32)12-3-2-4-14(9-12)23(26,27)28/h2-11H,1H3,(H,30,32)
InChIKeyIBWXXGRPDMZTGB-UHFFFAOYSA-N
MW492.28 g/mol
LogP6.18
Rot. Bonds3

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

N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 11156106) has the molecular formula C23H14Cl2F3N3O2 and a molecular weight of 492.28 g/mol. Its IUPAC name is N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID11156106
Molecular FormulaC23H14Cl2F3N3O2
Molecular Weight492.28 g/mol
Exact Mass491.04
IUPAC NameN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1c(=O)c(-c2c(Cl)ccc(NC(=O)c3cccc(C(F)(F)F)c3)c2Cl)cc2cnccc21
InChIInChI=1S/C23H14Cl2F3N3O2/c1-31-18-7-8-29-11-13(18)10-15(22(31)33)19-16(24)5-6-17(20(19)25)30-21(32)12-3-2-4-14(9-12)23(26,27)28/h2-11H,1H3,(H,30,32)
InChIKeyIBWXXGRPDMZTGB-UHFFFAOYSA-N
XLogP6.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.28
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 11156106) is N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide is Cn1c(=O)c(-c2c(Cl)ccc(NC(=O)c3cccc(C(F)(F)F)c3)c2Cl)cc2cnccc21.
What is the InChIKey of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is IBWXXGRPDMZTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F3N3O2/c1-31-18-7-8-29-11-13(18)10-15(22(31)33)19-16(24)5-6-17(20(19)25)30-21(32)12-3-2-4-14(9-12)23(26,27)28/h2-11H,1H3,(H,30,32).
What are the key properties of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 492.28 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 11156106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).