N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide

C23H20F3N3O5 — CID 4164641

IUPACN-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
SMILESCOc1ccc(NC(=O)NC(=O)c2cccc(Cn3cc(C(F)(F)F)ccc3=O)c2)c(OC)c1
InChIInChI=1S/C23H20F3N3O5/c1-33-17-7-8-18(19(11-17)34-2)27-22(32)28-21(31)15-5-3-4-14(10-15)12-29-13-16(23(24,25)26)6-9-20(29)30/h3-11,13H,12H2,1-2H3,(H2,27,28,31,32)
InChIKeyUVLHTKOORAXSSD-UHFFFAOYSA-N
MW475.42 g/mol
LogP3.89
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide

N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide (PubChem CID 4164641) has the molecular formula C23H20F3N3O5 and a molecular weight of 475.42 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
PubChem CID4164641
Molecular FormulaC23H20F3N3O5
Molecular Weight475.42 g/mol
Exact Mass475.14
IUPAC NameN-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
SMILESCOc1ccc(NC(=O)NC(=O)c2cccc(Cn3cc(C(F)(F)F)ccc3=O)c2)c(OC)c1
InChIInChI=1S/C23H20F3N3O5/c1-33-17-7-8-18(19(11-17)34-2)27-22(32)28-21(31)15-5-3-4-14(10-15)12-29-13-16(23(24,25)26)6-9-20(29)30/h3-11,13H,12H2,1-2H3,(H2,27,28,31,32)
InChIKeyUVLHTKOORAXSSD-UHFFFAOYSA-N
XLogP3.89
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide with MolForge

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382358
N-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
CID 4694553
N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)benzamide
CID 7603182
1-[(3-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-6-oxopyridine-3-carboxamide
CID 26844110
1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 60673927
S-(4-methylphenyl) 3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenecarbothioate
CID 2746482
methyl 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoate
CID 1486027
N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582736
3-fluoro-N-[2-methoxy-5-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]phenyl]benzamide
CID 46477710
3-bromo-N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 1018544
N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 2920046
1-[(3-fluorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671064

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide (CID 4164641) is N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide is COc1ccc(NC(=O)NC(=O)c2cccc(Cn3cc(C(F)(F)F)ccc3=O)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
The InChIKey is UVLHTKOORAXSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O5/c1-33-17-7-8-18(19(11-17)34-2)27-22(32)28-21(31)15-5-3-4-14(10-15)12-29-13-16(23(24,25)26)6-9-20(29)30/h3-11,13H,12H2,1-2H3,(H2,27,28,31,32).
What are the key properties of N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide?
N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide has a molecular weight of 475.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide is sourced from PubChem (CID 4164641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).