2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide

C14H10BrF3N2O — CID 154990210

IUPAC2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Br)ccn1
InChIInChI=1S/C14H10BrF3N2O/c1-8-6-10(4-5-19-8)20-13(21)11-3-2-9(7-12(11)15)14(16,17)18/h2-7H,1H3,(H,19,20,21)
InChIKeyLTNPIGNPYVSNMN-UHFFFAOYSA-N
MW359.15 g/mol
LogP4.42
Rot. Bonds2

About 2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide

2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide (PubChem CID 154990210) has the molecular formula C14H10BrF3N2O and a molecular weight of 359.15 g/mol. Its IUPAC name is 2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide
PubChem CID154990210
Molecular FormulaC14H10BrF3N2O
Molecular Weight359.15 g/mol
Exact Mass357.99
IUPAC Name2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Br)ccn1
InChIInChI=1S/C14H10BrF3N2O/c1-8-6-10(4-5-19-8)20-13(21)11-3-2-9(7-12(11)15)14(16,17)18/h2-7H,1H3,(H,19,20,21)
InChIKeyLTNPIGNPYVSNMN-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.15
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79035679
2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide
CID 103993823
2-amino-N-(2-methyl-4-pyridinyl)benzamide
CID 79235729
2-bromo-N-(2-methyl-4-pyridinyl)-5-nitrobenzamide
CID 79240934
2,5-dimethyl-N-(2-methyl-4-pyridinyl)thiophene-3-carboxamide
CID 110705565
3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
CID 110678414
4-(methylamino)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240980
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171
2-bromo-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819052
2-amino-5-methoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 79235180
N-(3-chloro-5-methylphenyl)-2-hydroxy-4-(trifluoromethyl)benzamide
CID 167685587
2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
CID 35828938

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide (CID 154990210) is 2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide is Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2Br)ccn1.
What is the InChIKey of 2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide?
The InChIKey is LTNPIGNPYVSNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O/c1-8-6-10(4-5-19-8)20-13(21)11-3-2-9(7-12(11)15)14(16,17)18/h2-7H,1H3,(H,19,20,21).
What are the key properties of 2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide?
2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide has a molecular weight of 359.15 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 154990210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).