N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide

C14H12BrClN2O2 — CID 47059465

IUPACN-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClN2O2/c1-8(9-2-4-11(15)5-3-9)18-13(19)10-6-12(16)14(20)17-7-10/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyYISSODOISBQEKV-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.28
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide

N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 47059465) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide
PubChem CID47059465
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC NameN-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c(=O)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClN2O2/c1-8(9-2-4-11(15)5-3-9)18-13(19)10-6-12(16)14(20)17-7-10/h2-8H,1H3,(H,17,20)(H,18,19)
InChIKeyYISSODOISBQEKV-UHFFFAOYSA-N
XLogP3.28
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide (CID 47059465) is N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide is CC(NC(=O)c1c[nH]c(=O)c(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YISSODOISBQEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-8(9-2-4-11(15)5-3-9)18-13(19)10-6-12(16)14(20)17-7-10/h2-8H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 355.62 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47059465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).