N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide

C23H19F4N3O4 — CID 56986753

IUPACN-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC(=O)Nc1cc(C)c(-c2ccc(OC(F)(F)F)cc2)c(C)n1
InChIInChI=1S/C23H19F4N3O4/c1-12-11-18(29-22(32)30-21(31)20-16(24)5-4-6-17(20)33-3)28-13(2)19(12)14-7-9-15(10-8-14)34-23(25,26)27/h4-11H,1-3H3,(H2,28,29,30,31,32)
InChIKeySTRIUWPGERKNSK-UHFFFAOYSA-N
MW477.41 g/mol
LogP5.37
Rot. Bonds5

About N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide

N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide (PubChem CID 56986753) has the molecular formula C23H19F4N3O4 and a molecular weight of 477.41 g/mol. Its IUPAC name is N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide
PubChem CID56986753
Molecular FormulaC23H19F4N3O4
Molecular Weight477.41 g/mol
Exact Mass477.13
IUPAC NameN-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC(=O)Nc1cc(C)c(-c2ccc(OC(F)(F)F)cc2)c(C)n1
InChIInChI=1S/C23H19F4N3O4/c1-12-11-18(29-22(32)30-21(31)20-16(24)5-4-6-17(20)33-3)28-13(2)19(12)14-7-9-15(10-8-14)34-23(25,26)27/h4-11H,1-3H3,(H2,28,29,30,31,32)
InChIKeySTRIUWPGERKNSK-UHFFFAOYSA-N
XLogP5.37
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
CID 13242717
2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
CID 15452397
2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 54087220
2-bromo-N-[[4,6-dimethyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 57084434
2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(2-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide
CID 14100481
2,6-difluoro-N-[[3-methoxy-4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethoxy]phenyl]carbamoyl]benzamide
CID 14100483
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
N-[[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 141254822
2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
CID 13242696
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 16561580
N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134087466
N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434983

Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide (CID 56986753) is N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NC(=O)Nc1cc(C)c(-c2ccc(OC(F)(F)F)cc2)c(C)n1.
What is the InChIKey of N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide?
The InChIKey is STRIUWPGERKNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N3O4/c1-12-11-18(29-22(32)30-21(31)20-16(24)5-4-6-17(20)33-3)28-13(2)19(12)14-7-9-15(10-8-14)34-23(25,26)27/h4-11H,1-3H3,(H2,28,29,30,31,32).
What are the key properties of N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide?
N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide has a molecular weight of 477.41 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 56986753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).