N-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide

C14H12BrFN2O — CID 91652849

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccc(F)cc1Br)C(=O)c1ccncc1
InChIInChI=1S/C14H12BrFN2O/c1-18(14(19)10-4-6-17-7-5-10)9-11-2-3-12(16)8-13(11)15/h2-8H,9H2,1H3
InChIKeyJJCUIRSEPNKBDI-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.26
Rot. Bonds3

About N-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide

N-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 91652849) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID91652849
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccc(F)cc1Br)C(=O)c1ccncc1
InChIInChI=1S/C14H12BrFN2O/c1-18(14(19)10-4-6-17-7-5-10)9-11-2-3-12(16)8-13(11)15/h2-8H,9H2,1H3
InChIKeyJJCUIRSEPNKBDI-UHFFFAOYSA-N
XLogP3.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide (CID 91652849) is N-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide is CN(Cc1ccc(F)cc1Br)C(=O)c1ccncc1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is JJCUIRSEPNKBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c1-18(14(19)10-4-6-17-7-5-10)9-11-2-3-12(16)8-13(11)15/h2-8H,9H2,1H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide?
N-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 323.17 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 91652849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).