2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide

C20H14ClF3N4O2 — CID 13341094

IUPAC2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
SMILESCc1nc(NC(=O)NC(=O)c2ccccc2Cl)cnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14ClF3N4O2/c1-11-17(12-5-4-6-13(9-12)20(22,23)24)25-10-16(26-11)27-19(30)28-18(29)14-7-2-3-8-15(14)21/h2-10H,1H3,(H2,26,27,28,29,30)
InChIKeyKZIVCQCZFMIHHH-UHFFFAOYSA-N
MW434.81 g/mol
LogP5.09
Rot. Bonds3

About 2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide

2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide (PubChem CID 13341094) has the molecular formula C20H14ClF3N4O2 and a molecular weight of 434.81 g/mol. Its IUPAC name is 2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
PubChem CID13341094
Molecular FormulaC20H14ClF3N4O2
Molecular Weight434.81 g/mol
Exact Mass434.08
IUPAC Name2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
SMILESCc1nc(NC(=O)NC(=O)c2ccccc2Cl)cnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H14ClF3N4O2/c1-11-17(12-5-4-6-13(9-12)20(22,23)24)25-10-16(26-11)27-19(30)28-18(29)14-7-2-3-8-15(14)21/h2-10H,1H3,(H2,26,27,28,29,30)
InChIKeyKZIVCQCZFMIHHH-UHFFFAOYSA-N
XLogP5.09
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.81
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide
CID 13341085
2-bromo-N-[[4,6-dimethyl-5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 57084434
2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 13242668
N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide
CID 13341092
2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]carbamoyl]benzamide
CID 12960044
2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 54087220
2-chloro-N-[[5-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxocyclohexa-1,3-dien-1-yl]carbamoyl]benzamide
CID 88795423
2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide
CID 162621094
3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134623607
2-chloro-N-[[5-(4-chlorophenyl)pyrazin-2-yl]carbamoyl]benzamide
CID 13341093
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
methyl 5-chloro-6-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134635513

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide (CID 13341094) is 2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide is Cc1nc(NC(=O)NC(=O)c2ccccc2Cl)cnc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide?
The InChIKey is KZIVCQCZFMIHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O2/c1-11-17(12-5-4-6-13(9-12)20(22,23)24)25-10-16(26-11)27-19(30)28-18(29)14-7-2-3-8-15(14)21/h2-10H,1H3,(H2,26,27,28,29,30).
What are the key properties of 2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide?
2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide has a molecular weight of 434.81 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide is sourced from PubChem (CID 13341094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).