4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide

C20H14ClF3N2O — CID 11618057

IUPAC4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14ClF3N2O/c1-12-11-13(18-17(21)3-2-10-25-18)4-9-16(12)19(27)26-15-7-5-14(6-8-15)20(22,23)24/h2-11H,1H3,(H,26,27)
InChIKeyQNUDOTOHYGQEEU-UHFFFAOYSA-N
MW390.79 g/mol
LogP5.98
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide

4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 11618057) has the molecular formula C20H14ClF3N2O and a molecular weight of 390.79 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID11618057
Molecular FormulaC20H14ClF3N2O
Molecular Weight390.79 g/mol
Exact Mass390.07
IUPAC Name4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H14ClF3N2O/c1-12-11-13(18-17(21)3-2-10-25-18)4-9-16(12)19(27)26-15-7-5-14(6-8-15)20(22,23)24/h2-11H,1H3,(H,26,27)
InChIKeyQNUDOTOHYGQEEU-UHFFFAOYSA-N
XLogP5.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.79
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide (CID 11618057) is 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide is Cc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QNUDOTOHYGQEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O/c1-12-11-13(18-17(21)3-2-10-25-18)4-9-16(12)19(27)26-15-7-5-14(6-8-15)20(22,23)24/h2-11H,1H3,(H,26,27).
What are the key properties of 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide?
4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 390.79 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 11618057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).