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

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Related Compounds

N-(5-methyl-2-pyridinyl)-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]acetamide
CID 86885989
2-[(4-hydroxyphenyl)methyl-methylamino]-N-(5-methyl-2-pyridinyl)acetamide
CID 86805753
N-(5-chloro-2-pyridinyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196345
N-(5-chloro-2-pyridinyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86908832
N-(5-chloro-2-pyridinyl)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46601522
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 27222414
N-(2-bromo-4-methylphenyl)-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 27204786
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide
CID 18087925
4-chloro-2-fluoro-N-(5-methyl-2-pyridinyl)benzamide
CID 26028133
3-(3-chlorophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 47325752
2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 2657408
N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623

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).