3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

C20H14F3N3O5 — CID 2811387

IUPAC3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2nccnc2C(=O)O)cc1
InChIInChI=1S/C20H14F3N3O5/c1-30-12-3-5-13(6-4-12)31-15-7-2-11(20(21,22)23)10-14(15)26-18(27)16-17(19(28)29)25-9-8-24-16/h2-10H,1H3,(H,26,27)(H,28,29)
InChIKeyBGGFSPWZTMVHBL-UHFFFAOYSA-N
MW433.34 g/mol
LogP4.25
Rot. Bonds6

About 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid

3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 2811387) has the molecular formula C20H14F3N3O5 and a molecular weight of 433.34 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID2811387
Molecular FormulaC20H14F3N3O5
Molecular Weight433.34 g/mol
Exact Mass433.09
IUPAC Name3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2nccnc2C(=O)O)cc1
InChIInChI=1S/C20H14F3N3O5/c1-30-12-3-5-13(6-4-12)31-15-7-2-11(20(21,22)23)10-14(15)26-18(27)16-17(19(28)29)25-9-8-24-16/h2-10H,1H3,(H,26,27)(H,28,29)
InChIKeyBGGFSPWZTMVHBL-UHFFFAOYSA-N
XLogP4.25
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866752
N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1341626
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
CID 60604524
4-chloro-N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1340542
N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide
CID 7918318
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene
CID 134929204
2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 112523297
N-[2-(4-cyanophenoxy)-5-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 2797721
N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 16761301
3-[[2-[4-[(methylideneamino)methyl]anilino]-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 142847224

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid (CID 2811387) is 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid is COc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2nccnc2C(=O)O)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is BGGFSPWZTMVHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O5/c1-30-12-3-5-13(6-4-12)31-15-7-2-11(20(21,22)23)10-14(15)26-18(27)16-17(19(28)29)25-9-8-24-16/h2-10H,1H3,(H,26,27)(H,28,29).
What are the key properties of 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid?
3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 433.34 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 2811387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).