N-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide

C21H15F5N2O3 — CID 71144192

IUPACN-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)c2ccccc2F)ccc1=O
InChIInChI=1S/C21H15F5N2O3/c1-28-11-13(7-9-18(28)29)20(30)27-19(14-4-2-3-5-15(14)22)12-6-8-17(16(23)10-12)31-21(24,25)26/h2-11,19H,1H3,(H,27,30)
InChIKeyPRMHLAPNVNDEDN-UHFFFAOYSA-N
MW438.35 g/mol
LogP4.08
Rot. Bonds5

About N-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 71144192) has the molecular formula C21H15F5N2O3 and a molecular weight of 438.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID71144192
Molecular FormulaC21H15F5N2O3
Molecular Weight438.35 g/mol
Exact Mass438.10
IUPAC NameN-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)c2ccccc2F)ccc1=O
InChIInChI=1S/C21H15F5N2O3/c1-28-11-13(7-9-18(28)29)20(30)27-19(14-4-2-3-5-15(14)22)12-6-8-17(16(23)10-12)31-21(24,25)26/h2-11,19H,1H3,(H,27,30)
InChIKeyPRMHLAPNVNDEDN-UHFFFAOYSA-N
XLogP4.08
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 90124768
N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide
CID 78018918
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97313653
N-[1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 75461927
N-[[3-fluoro-4-(trifluoromethoxy)phenyl]-pyridin-2-ylmethyl]-3H-benzimidazole-5-carboxamide
CID 71144406
carbamic acid;N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-phenylmethoxypyridine-3-carboxamide
CID 71144384
N'-(2-fluorophenyl)-1-methyl-6-oxopyridine-3-carbohydrazide
CID 118039703
5-[3-(4-bromophenyl)-3-(2-fluorophenyl)propanoyl]-1-methylpyridin-2-one
CID 66669163
N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 71144369
3-fluoro-4-methoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 100613122
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzamide
CID 18227017
N-[(3-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 71144319

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 71144192) is N-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)c2ccccc2F)ccc1=O.
What is the InChIKey of N-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is PRMHLAPNVNDEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N2O3/c1-28-11-13(7-9-18(28)29)20(30)27-19(14-4-2-3-5-15(14)22)12-6-8-17(16(23)10-12)31-21(24,25)26/h2-11,19H,1H3,(H,27,30).
What are the key properties of N-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 438.35 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 71144192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).