4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide

C14H10BrF3N2O — CID 103924957

IUPAC4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccncc1NC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H10BrF3N2O/c1-8-4-5-19-7-12(8)20-13(21)10-3-2-9(15)6-11(10)14(16,17)18/h2-7H,1H3,(H,20,21)
InChIKeyVVYWLDUYXFEVLN-UHFFFAOYSA-N
MW359.15 g/mol
LogP4.42
Rot. Bonds2

About 4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide

4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide (PubChem CID 103924957) has the molecular formula C14H10BrF3N2O and a molecular weight of 359.15 g/mol. Its IUPAC name is 4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide
PubChem CID103924957
Molecular FormulaC14H10BrF3N2O
Molecular Weight359.15 g/mol
Exact Mass357.99
IUPAC Name4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccncc1NC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H10BrF3N2O/c1-8-4-5-19-7-12(8)20-13(21)10-3-2-9(15)6-11(10)14(16,17)18/h2-7H,1H3,(H,20,21)
InChIKeyVVYWLDUYXFEVLN-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

5-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 63327503
2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide
CID 81228966
4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzamide
CID 103924603
3-bromo-2-fluoro-N-(4-methyl-3-pyridinyl)benzamide
CID 106544474
5-bromo-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79941495
4-bromo-N-(1,2,4-triazin-3-yl)-2-(trifluoromethyl)benzamide
CID 107332970
4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 55220101
4-bromo-N-(3-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 103926239
4,5-dibromo-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 78941963
5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide
CID 65311874
2-hydroxy-N-(4-methyl-3-pyridinyl)benzamide
CID 63327806

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide (CID 103924957) is 4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide is Cc1ccncc1NC(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide?
The InChIKey is VVYWLDUYXFEVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O/c1-8-4-5-19-7-12(8)20-13(21)10-3-2-9(15)6-11(10)14(16,17)18/h2-7H,1H3,(H,20,21).
What are the key properties of 4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide?
4-bromo-N-(4-methyl-3-pyridinyl)-2-(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 4-bromo-N-(4-methyl-3-pyridinyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 103924957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).