N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide

C15H13BrCl2N2O2 — CID 22344553

IUPACN-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide
SMILESCc1cc(Br)ccc1C(CO)NC(=O)c1c(Cl)cncc1Cl
InChIInChI=1S/C15H13BrCl2N2O2/c1-8-4-9(16)2-3-10(8)13(7-21)20-15(22)14-11(17)5-19-6-12(14)18/h2-6,13,21H,7H2,1H3,(H,20,22)
InChIKeyMVIMAKDUBAFMGW-UHFFFAOYSA-N
MW404.09 g/mol
LogP3.92
Rot. Bonds4

About N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide

N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide (PubChem CID 22344553) has the molecular formula C15H13BrCl2N2O2 and a molecular weight of 404.09 g/mol. Its IUPAC name is N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide
PubChem CID22344553
Molecular FormulaC15H13BrCl2N2O2
Molecular Weight404.09 g/mol
Exact Mass401.95
IUPAC NameN-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide
SMILESCc1cc(Br)ccc1C(CO)NC(=O)c1c(Cl)cncc1Cl
InChIInChI=1S/C15H13BrCl2N2O2/c1-8-4-9(16)2-3-10(8)13(7-21)20-15(22)14-11(17)5-19-6-12(14)18/h2-6,13,21H,7H2,1H3,(H,20,22)
InChIKeyMVIMAKDUBAFMGW-UHFFFAOYSA-N
XLogP3.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.09
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide
CID 139978166
5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772690
4-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 79246429
1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867000
2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
CID 138109643
N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 81229401
3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride
CID 175522535
1-(4-bromo-2-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839880
4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 43805745
2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 110005910
N-[(1S,2S)-1-(4-bromo-2-methylphenyl)-2-hydroxypropyl]-2,6-difluorobenzamide
CID 59069386
1-(4-bromo-2-methylphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 115863002

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide?
The IUPAC name of N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide (CID 22344553) is N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide is Cc1cc(Br)ccc1C(CO)NC(=O)c1c(Cl)cncc1Cl.
What is the InChIKey of N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide?
The InChIKey is MVIMAKDUBAFMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2N2O2/c1-8-4-9(16)2-3-10(8)13(7-21)20-15(22)14-11(17)5-19-6-12(14)18/h2-6,13,21H,7H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide?
N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide has a molecular weight of 404.09 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-methylphenyl)-2-hydroxyethyl]-3,5-dichloropyridine-4-carboxamide is sourced from PubChem (CID 22344553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).