5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide

C16H15BrCl2N2O2 — CID 70461703

IUPAC5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1OCCN(C)C(=O)c1cncc(Br)c1
InChIInChI=1S/C16H15BrCl2N2O2/c1-10-5-13(18)7-14(19)15(10)23-4-3-21(2)16(22)11-6-12(17)9-20-8-11/h5-9H,3-4H2,1-2H3
InChIKeyWAUPGXOYFGSTPO-UHFFFAOYSA-N
MW418.12 g/mol
LogP4.61
Rot. Bonds5

About 5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide

5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide (PubChem CID 70461703) has the molecular formula C16H15BrCl2N2O2 and a molecular weight of 418.12 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide
PubChem CID70461703
Molecular FormulaC16H15BrCl2N2O2
Molecular Weight418.12 g/mol
Exact Mass415.97
IUPAC Name5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1OCCN(C)C(=O)c1cncc(Br)c1
InChIInChI=1S/C16H15BrCl2N2O2/c1-10-5-13(18)7-14(19)15(10)23-4-3-21(2)16(22)11-6-12(17)9-20-8-11/h5-9H,3-4H2,1-2H3
InChIKeyWAUPGXOYFGSTPO-UHFFFAOYSA-N
XLogP4.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.12
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide
CID 70461907
5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 60793303
5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 2277112
5-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 175903314
5-bromo-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 47339435
3-bromo-N-[2-(2-bromoethoxy)ethyl]-5-chloro-N-methylbenzamide
CID 114242851
N-methyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
CID 13044632
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 9107741
5-chloro-N-[2-(2,6-dichlorophenoxy)ethyl]-N-ethylpyridine-3-carboxamide
CID 70462625
5-hydroxy-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 63866551
5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60729547
3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22458041

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide (CID 70461703) is 5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide is Cc1cc(Cl)cc(Cl)c1OCCN(C)C(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is WAUPGXOYFGSTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrCl2N2O2/c1-10-5-13(18)7-14(19)15(10)23-4-3-21(2)16(22)11-6-12(17)9-20-8-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide?
5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide has a molecular weight of 418.12 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,4-dichloro-6-methylphenoxy)ethyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 70461703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).