2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide

C16H17BrClN3O — CID 86949435

IUPAC2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccc(Cl)cc2Br)nc1
InChIInChI=1S/C16H17BrClN3O/c1-11-3-6-15(19-8-11)20-16(22)10-21(2)9-12-4-5-13(18)7-14(12)17/h3-8H,9-10H2,1-2H3,(H,19,20,22)
InChIKeyDQYDWRMUANTFAZ-UHFFFAOYSA-N
MW382.69 g/mol
LogP3.88
Rot. Bonds5

About 2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide

2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 86949435) has the molecular formula C16H17BrClN3O and a molecular weight of 382.69 g/mol. Its IUPAC name is 2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID86949435
Molecular FormulaC16H17BrClN3O
Molecular Weight382.69 g/mol
Exact Mass381.02
IUPAC Name2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2ccc(Cl)cc2Br)nc1
InChIInChI=1S/C16H17BrClN3O/c1-11-3-6-15(19-8-11)20-16(22)10-21(2)9-12-4-5-13(18)7-14(12)17/h3-8H,9-10H2,1-2H3,(H,19,20,22)
InChIKeyDQYDWRMUANTFAZ-UHFFFAOYSA-N
XLogP3.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.69
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide (CID 86949435) is 2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2ccc(Cl)cc2Br)nc1.
What is the InChIKey of 2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is DQYDWRMUANTFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN3O/c1-11-3-6-15(19-8-11)20-16(22)10-21(2)9-12-4-5-13(18)7-14(12)17/h3-8H,9-10H2,1-2H3,(H,19,20,22).
What are the key properties of 2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide?
2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 382.69 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-chlorophenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 86949435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).