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

C23H16Cl2F3N3O2 — CID 147071184

IUPACN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)cyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)benzamide
SMILESCn1c(=O)c(C2=C(Cl)C(NC(=O)c3cccc(C(F)(F)F)c3)CC=C2Cl)cc2cnccc21
InChIInChI=1S/C23H16Cl2F3N3O2/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/h2-5,7-11,17H,6H2,1H3,(H,30,32)
InChIKeyBFBVGRGJSJCNEG-UHFFFAOYSA-N
MW494.30 g/mol
LogP5.23
Rot. Bonds3

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

N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)cyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)benzamide (PubChem CID 147071184) has the molecular formula C23H16Cl2F3N3O2 and a molecular weight of 494.30 g/mol. Its IUPAC name is N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)cyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)cyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)benzamide
PubChem CID147071184
Molecular FormulaC23H16Cl2F3N3O2
Molecular Weight494.30 g/mol
Exact Mass493.06
IUPAC NameN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)cyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)benzamide
SMILESCn1c(=O)c(C2=C(Cl)C(NC(=O)c3cccc(C(F)(F)F)c3)CC=C2Cl)cc2cnccc21
InChIInChI=1S/C23H16Cl2F3N3O2/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/h2-5,7-11,17H,6H2,1H3,(H,30,32)
InChIKeyBFBVGRGJSJCNEG-UHFFFAOYSA-N
XLogP5.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.30
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 59833883
3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
CID 59833874
N-[4-methyl-3-[1-methyl-2-oxo-7-(2-pyridin-4-ylethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 24952423
N-[4-chloro-3-(8-methyl-2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 69287105
ethane;N-[4-methyl-3-(1-methyl-2-oxo-7-propyl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 143662267
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
N-[4-methyl-3-[1-methyl-2-oxo-7-[3-(prop-1-en-2-ylamino)anilino]-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 143032078
3-isoquinolin-7-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11574683
N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 91843932
N-[3-[7-[3-(dimethylamino)propylamino]-1-methyl-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 59833794
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide
CID 7536993
N-[3-(2-chloro-8-methyl-7-oxopteridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 59723641

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)cyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)cyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)benzamide (CID 147071184) is N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)cyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)cyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)cyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)benzamide is Cn1c(=O)c(C2=C(Cl)C(NC(=O)c3cccc(C(F)(F)F)c3)CC=C2Cl)cc2cnccc21.
What is the InChIKey of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)cyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is BFBVGRGJSJCNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2F3N3O2/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/h2-5,7-11,17H,6H2,1H3,(H,30,32).
What are the key properties of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)cyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)benzamide?
N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)cyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 494.30 g/mol, XLogP of 5.23, 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)cyclohexa-2,4-dien-1-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 147071184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).