5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate

C19H11ClF3N4O3- — CID 154437203

IUPAC5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate
SMILESO=C([O-])c1ncc(-c2ccc(Cl)cc2)nc1C(=O)NNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12ClF3N4O3/c20-12-5-1-10(2-6-12)14-9-24-16(18(29)30)15(25-14)17(28)27-26-13-7-3-11(4-8-13)19(21,22)23/h1-9,26H,(H,27,28)(H,29,30)/p-1
InChIKeyUGLCXFUTNBMILK-UHFFFAOYSA-M
MW435.77 g/mol
LogP2.94
Rot. Bonds5

About 5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate

5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate (PubChem CID 154437203) has the molecular formula C19H11ClF3N4O3- and a molecular weight of 435.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate
PubChem CID154437203
Molecular FormulaC19H11ClF3N4O3-
Molecular Weight435.77 g/mol
Exact Mass435.05
IUPAC Name5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate
SMILESO=C([O-])c1ncc(-c2ccc(Cl)cc2)nc1C(=O)NNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H12ClF3N4O3/c20-12-5-1-10(2-6-12)14-9-24-16(18(29)30)15(25-14)17(28)27-26-13-7-3-11(4-8-13)19(21,22)23/h1-9,26H,(H,27,28)(H,29,30)/p-1
InChIKeyUGLCXFUTNBMILK-UHFFFAOYSA-M
XLogP2.94
TPSA107.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.77
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 155817766
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride
CID 22285617
N-(4-chlorophenyl)-4-[6-(dimethylamino)-4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 71628222
1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]thiourea
CID 2745993
N'-[5-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151006
2-(4-chlorophenyl)-N'-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carbohydrazide
CID 118064642
N-(2-chlorophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109268616
2-(4-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109268891
3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118113315
5-(4-chlorophenyl)sulfonyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 166887624
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide
CID 156816991

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate?
The IUPAC name of 5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate (CID 154437203) is 5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate?
The canonical SMILES for 5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate is O=C([O-])c1ncc(-c2ccc(Cl)cc2)nc1C(=O)NNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate?
The InChIKey is UGLCXFUTNBMILK-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H12ClF3N4O3/c20-12-5-1-10(2-6-12)14-9-24-16(18(29)30)15(25-14)17(28)27-26-13-7-3-11(4-8-13)19(21,22)23/h1-9,26H,(H,27,28)(H,29,30)/p-1.
What are the key properties of 5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate?
5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate has a molecular weight of 435.77 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[[4-(trifluoromethyl)anilino]carbamoyl]pyrazine-2-carboxylate is sourced from PubChem (CID 154437203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).