N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide

C16H14BrFN2O — CID 167864596

IUPACN-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide
SMILESCc1cnc(NC(=O)c2cc(C3CC3)ccc2F)c(Br)c1
InChIInChI=1S/C16H14BrFN2O/c1-9-6-13(17)15(19-8-9)20-16(21)12-7-11(10-2-3-10)4-5-14(12)18/h4-8,10H,2-3H2,1H3,(H,19,20,21)
InChIKeyONGVZKAXXUDGBN-UHFFFAOYSA-N
MW349.20 g/mol
LogP4.42
Rot. Bonds3

About N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide

N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide (PubChem CID 167864596) has the molecular formula C16H14BrFN2O and a molecular weight of 349.20 g/mol. Its IUPAC name is N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide
PubChem CID167864596
Molecular FormulaC16H14BrFN2O
Molecular Weight349.20 g/mol
Exact Mass348.03
IUPAC NameN-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide
SMILESCc1cnc(NC(=O)c2cc(C3CC3)ccc2F)c(Br)c1
InChIInChI=1S/C16H14BrFN2O/c1-9-6-13(17)15(19-8-9)20-16(21)12-7-11(10-2-3-10)4-5-14(12)18/h4-8,10H,2-3H2,1H3,(H,19,20,21)
InChIKeyONGVZKAXXUDGBN-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide
CID 75388632
N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide
CID 75496322
methyl 5-cyclopropyl-2-fluorobenzoate
CID 126696591
1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea
CID 127009526
N-(5-bromo-4-methyl-2-pyridinyl)-2-fluoro-5-methylbenzamide
CID 79733422
N-(3-bromo-5-methyl-2-pyridinyl)thiophene-3-carboxamide
CID 11437936
N-(5-amino-3-methyl-2-pyridinyl)-5-bromo-2-fluorobenzamide
CID 112555441
3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
5-cyclopropyl-2-fluoro-N-(1-methylcyclopropyl)sulfonylbenzamide
CID 175921438
N-(3,5-dibromopyrazin-2-yl)-2,5-difluorobenzamide
CID 113255841
3-bromo-N-(3,4-difluorophenyl)-5-methylpyridin-2-amine
CID 105367615
3-bromo-N-[(3,4-difluorophenyl)methyl]-5-methylpyridin-2-amine
CID 105366846

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide?
The IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide (CID 167864596) is N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide.
What is the SMILES notation for N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide?
The canonical SMILES for N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide is Cc1cnc(NC(=O)c2cc(C3CC3)ccc2F)c(Br)c1.
What is the InChIKey of N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide?
The InChIKey is ONGVZKAXXUDGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O/c1-9-6-13(17)15(19-8-9)20-16(21)12-7-11(10-2-3-10)4-5-14(12)18/h4-8,10H,2-3H2,1H3,(H,19,20,21).
What are the key properties of N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide?
N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide has a molecular weight of 349.20 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methyl-2-pyridinyl)-5-cyclopropyl-2-fluorobenzamide is sourced from PubChem (CID 167864596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).