2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide

C14H12BrClN2O — CID 102979817

IUPAC2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide
SMILESCc1cnc(Cl)c(NC(=O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C14H12BrClN2O/c1-9-5-12(14(16)17-8-9)18-13(19)7-10-3-2-4-11(15)6-10/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyYXLOPACSSHNSMZ-UHFFFAOYSA-N
MW339.62 g/mol
LogP3.99
Rot. Bonds3

About 2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide

2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide (PubChem CID 102979817) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide
PubChem CID102979817
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide
SMILESCc1cnc(Cl)c(NC(=O)Cc2cccc(Br)c2)c1
InChIInChI=1S/C14H12BrClN2O/c1-9-5-12(14(16)17-8-9)18-13(19)7-10-3-2-4-11(15)6-10/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyYXLOPACSSHNSMZ-UHFFFAOYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide
CID 102979634
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
N-(2-bromo-4-chlorophenyl)-2-(3-bromophenyl)acetamide
CID 81271927
2-(3-bromophenyl)-N-(4-chloro-2-pyridinyl)acetamide
CID 115627297
N-(2-amino-4,5-dimethylphenyl)-2-(3-bromophenyl)acetamide
CID 62097923
2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide
CID 112996471
3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide
CID 102976125
N-(6-chloro-5-methyl-3-pyridinyl)-2-(3-chlorophenyl)acetamide
CID 103745271
N-(2-chloro-5-methyl-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979543
N-(2-chloro-5-methyl-3-pyridinyl)naphthalene-1-carboxamide
CID 102979737
N-(5-bromo-2-chloro-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 102979199
2-(3-bromophenyl)-N-(2,6-difluoro-3-pyridinyl)acetamide
CID 103097926

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide (CID 102979817) is 2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide is Cc1cnc(Cl)c(NC(=O)Cc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide?
The InChIKey is YXLOPACSSHNSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-9-5-12(14(16)17-8-9)18-13(19)7-10-3-2-4-11(15)6-10/h2-6,8H,7H2,1H3,(H,18,19).
What are the key properties of 2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide?
2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide has a molecular weight of 339.62 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 102979817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).