5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide

C16H16BrClN2O3 — CID 91817050

IUPAC5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide
SMILESCOc1cc(C)n(CCNC(=O)c2cc(Br)ccc2Cl)c(=O)c1
InChIInChI=1S/C16H16BrClN2O3/c1-10-7-12(23-2)9-15(21)20(10)6-5-19-16(22)13-8-11(17)3-4-14(13)18/h3-4,7-9H,5-6H2,1-2H3,(H,19,22)
InChIKeyCAODQXTVPJHBQB-UHFFFAOYSA-N
MW399.67 g/mol
LogP3.01
Rot. Bonds5

About 5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide

5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide (PubChem CID 91817050) has the molecular formula C16H16BrClN2O3 and a molecular weight of 399.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide
PubChem CID91817050
Molecular FormulaC16H16BrClN2O3
Molecular Weight399.67 g/mol
Exact Mass398.00
IUPAC Name5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide
SMILESCOc1cc(C)n(CCNC(=O)c2cc(Br)ccc2Cl)c(=O)c1
InChIInChI=1S/C16H16BrClN2O3/c1-10-7-12(23-2)9-15(21)20(10)6-5-19-16(22)13-8-11(17)3-4-14(13)18/h3-4,7-9H,5-6H2,1-2H3,(H,19,22)
InChIKeyCAODQXTVPJHBQB-UHFFFAOYSA-N
XLogP3.01
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.67
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide with MolForge

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Related Compounds

2-chloro-4-fluoro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide
CID 91817021
5-chloro-2-methoxy-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide
CID 91817029
N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-2,2-dimethylpropanamide
CID 91817003
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330
5-bromo-2-chloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266764
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264
N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91817058
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533216
N-(3-aminopropyl)-5-bromo-2-chlorobenzamide
CID 43378819
5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623399
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide (CID 91817050) is 5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide is COc1cc(C)n(CCNC(=O)c2cc(Br)ccc2Cl)c(=O)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide?
The InChIKey is CAODQXTVPJHBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3/c1-10-7-12(23-2)9-15(21)20(10)6-5-19-16(22)13-8-11(17)3-4-14(13)18/h3-4,7-9H,5-6H2,1-2H3,(H,19,22).
What are the key properties of 5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide?
5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide has a molecular weight of 399.67 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(4-methoxy-2-methyl-6-oxo-1-pyridinyl)ethyl]benzamide is sourced from PubChem (CID 91817050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).