N-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide

C18H15BrF4N2O — CID 59865712

IUPACN-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCc1c(Br)cc/c(=N\C(=O)c2cccc(C(F)(F)F)c2F)n1CC1CC1
InChIInChI=1S/C18H15BrF4N2O/c1-10-14(19)7-8-15(25(10)9-11-5-6-11)24-17(26)12-3-2-4-13(16(12)20)18(21,22)23/h2-4,7-8,11H,5-6,9H2,1H3/b24-15+
InChIKeyAMDNGYSTZQJHDU-BUVRLJJBSA-N
MW431.23 g/mol
LogP4.87
Rot. Bonds3

About N-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide

N-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 59865712) has the molecular formula C18H15BrF4N2O and a molecular weight of 431.23 g/mol. Its IUPAC name is N-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID59865712
Molecular FormulaC18H15BrF4N2O
Molecular Weight431.23 g/mol
Exact Mass430.03
IUPAC NameN-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCc1c(Br)cc/c(=N\C(=O)c2cccc(C(F)(F)F)c2F)n1CC1CC1
InChIInChI=1S/C18H15BrF4N2O/c1-10-14(19)7-8-15(25(10)9-11-5-6-11)24-17(26)12-3-2-4-13(16(12)20)18(21,22)23/h2-4,7-8,11H,5-6,9H2,1H3/b24-15+
InChIKeyAMDNGYSTZQJHDU-BUVRLJJBSA-N
XLogP4.87
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.23
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide (CID 59865712) is N-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide is Cc1c(Br)cc/c(=N\C(=O)c2cccc(C(F)(F)F)c2F)n1CC1CC1.
What is the InChIKey of N-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is AMDNGYSTZQJHDU-BUVRLJJBSA-N. The full InChI is InChI=1S/C18H15BrF4N2O/c1-10-14(19)7-8-15(25(10)9-11-5-6-11)24-17(26)12-3-2-4-13(16(12)20)18(21,22)23/h2-4,7-8,11H,5-6,9H2,1H3/b24-15+.
What are the key properties of N-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide?
N-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 431.23 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-1-(cyclopropylmethyl)-6-methyl-2-pyridinylidene]-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 59865712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).