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

C24H16Cl2F3N3O2 — CID 59833883

IUPACN-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCCn1c(=O)c(-c2c(Cl)ccc(NC(=O)c3cccc(C(F)(F)F)c3)c2Cl)cc2cnccc21
InChIInChI=1S/C24H16Cl2F3N3O2/c1-2-32-19-8-9-30-12-14(19)11-16(23(32)34)20-17(25)6-7-18(21(20)26)31-22(33)13-4-3-5-15(10-13)24(27,28)29/h3-12H,2H2,1H3,(H,31,33)
InChIKeyDJXHEDKVXQWWTQ-UHFFFAOYSA-N
MW506.31 g/mol
LogP6.66
Rot. Bonds4

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

N-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 59833883) has the molecular formula C24H16Cl2F3N3O2 and a molecular weight of 506.31 g/mol. Its IUPAC name is N-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID59833883
Molecular FormulaC24H16Cl2F3N3O2
Molecular Weight506.31 g/mol
Exact Mass505.06
IUPAC NameN-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCCn1c(=O)c(-c2c(Cl)ccc(NC(=O)c3cccc(C(F)(F)F)c3)c2Cl)cc2cnccc21
InChIInChI=1S/C24H16Cl2F3N3O2/c1-2-32-19-8-9-30-12-14(19)11-16(23(32)34)20-17(25)6-7-18(21(20)26)31-22(33)13-4-3-5-15(10-13)24(27,28)29/h3-12H,2H2,1H3,(H,31,33)
InChIKeyDJXHEDKVXQWWTQ-UHFFFAOYSA-N
XLogP6.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.31
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
CID 59833874
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-[8-methyl-2-(3-methylsulfanylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 59833850
2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68846956
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
N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
CID 102979678
ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate
CID 56632233
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 41077190
N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)-4-chlorophenyl]-3-(trifluoromethyl)benzamide
CID 24936955
N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 143609640

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 59833883) is N-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide is CCn1c(=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-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is DJXHEDKVXQWWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2F3N3O2/c1-2-32-19-8-9-30-12-14(19)11-16(23(32)34)20-17(25)6-7-18(21(20)26)31-22(33)13-4-3-5-15(10-13)24(27,28)29/h3-12H,2H2,1H3,(H,31,33).
What are the key properties of N-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 506.31 g/mol, XLogP of 6.66, 4 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-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 59833883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).