N-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide

C15H14BrClN2O2 — CID 81486262

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide
SMILESCc1cc(Br)cnc1NC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H14BrClN2O2/c1-9-6-11(16)8-18-14(9)19-15(20)10(2)21-13-5-3-4-12(17)7-13/h3-8,10H,1-2H3,(H,18,19,20)
InChIKeyQQCCLEITSIVKKY-UHFFFAOYSA-N
MW369.65 g/mol
LogP4.21
Rot. Bonds4

About N-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide

N-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide (PubChem CID 81486262) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide
PubChem CID81486262
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide
SMILESCc1cc(Br)cnc1NC(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C15H14BrClN2O2/c1-9-6-11(16)8-18-14(9)19-15(20)10(2)21-13-5-3-4-12(17)7-13/h3-8,10H,1-2H3,(H,18,19,20)
InChIKeyQQCCLEITSIVKKY-UHFFFAOYSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2R)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 92647263
(2S)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 92647264
2-(3-chlorophenoxy)-N-(2,4-dibromophenyl)propanamide
CID 5189907
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 62229280
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
N-(2-bromo-3-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 103479982
(2R)-2-(3-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 40533142
N-(2-amino-4-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 62227599
N-(4-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propanamide
CID 2930780

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide (CID 81486262) is N-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide is Cc1cc(Br)cnc1NC(=O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide?
The InChIKey is QQCCLEITSIVKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-9-6-11(16)8-18-14(9)19-15(20)10(2)21-13-5-3-4-12(17)7-13/h3-8,10H,1-2H3,(H,18,19,20).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide has a molecular weight of 369.65 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-2-(3-chlorophenoxy)propanamide is sourced from PubChem (CID 81486262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).