N-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide

C16H17BrN2O — CID 135071424

IUPACN-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C)C(=O)N(C)c2ccncc2Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-11-4-6-13(7-5-11)12(2)16(20)19(3)15-8-9-18-10-14(15)17/h4-10,12H,1-3H3
InChIKeyIGUFGGXEJMMPPY-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.92
Rot. Bonds3

About N-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide

N-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide (PubChem CID 135071424) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide
PubChem CID135071424
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(C)C(=O)N(C)c2ccncc2Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-11-4-6-13(7-5-11)12(2)16(20)19(3)15-8-9-18-10-14(15)17/h4-10,12H,1-3H3
InChIKeyIGUFGGXEJMMPPY-UHFFFAOYSA-N
XLogP3.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide (CID 135071424) is N-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide is Cc1ccc(C(C)C(=O)N(C)c2ccncc2Br)cc1.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide?
The InChIKey is IGUFGGXEJMMPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-4-6-13(7-5-11)12(2)16(20)19(3)15-8-9-18-10-14(15)17/h4-10,12H,1-3H3.
What are the key properties of N-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide?
N-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide has a molecular weight of 333.23 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)-N-methyl-2-(4-methylphenyl)propanamide is sourced from PubChem (CID 135071424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).