5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide

C15H14BrClN2O2 — CID 2277112

IUPAC5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1OCCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C15H14BrClN2O2/c1-10-6-13(17)2-3-14(10)21-5-4-19-15(20)11-7-12(16)9-18-8-11/h2-3,6-9H,4-5H2,1H3,(H,19,20)
InChIKeyXENOWECTMHAHTP-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.61
Rot. Bonds5

About 5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide

5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 2277112) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide
PubChem CID2277112
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1OCCNC(=O)c1cncc(Br)c1
InChIInChI=1S/C15H14BrClN2O2/c1-10-6-13(17)2-3-14(10)21-5-4-19-15(20)11-7-12(16)9-18-8-11/h2-3,6-9H,4-5H2,1H3,(H,19,20)
InChIKeyXENOWECTMHAHTP-UHFFFAOYSA-N
XLogP3.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
CID 113102620
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2H-triazole-4-carboxamide
CID 166293497
N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide
CID 113102585
5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide
CID 27883856
N-[2-(4-chloro-2-methylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide
CID 2286504
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide
CID 113102587
5-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227744
3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide
CID 60578580
5-bromo-N-(3-propoxypropyl)pyridine-3-carboxamide
CID 82944503
4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide
CID 47071541
4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531985
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide (CID 2277112) is 5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide is Cc1cc(Cl)ccc1OCCNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is XENOWECTMHAHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-10-6-13(17)2-3-14(10)21-5-4-19-15(20)11-7-12(16)9-18-8-11/h2-3,6-9H,4-5H2,1H3,(H,19,20).
What are the key properties of 5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide?
5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 369.65 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 2277112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).