N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide

C14H11Cl3N2O — CID 102979634

IUPACN-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide
SMILESCc1cnc(Cl)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl3N2O/c1-8-4-12(14(17)18-7-8)19-13(20)6-9-2-3-10(15)11(16)5-9/h2-5,7H,6H2,1H3,(H,19,20)
InChIKeyWHRAWTIUBDVIRM-UHFFFAOYSA-N
MW329.61 g/mol
LogP4.53
Rot. Bonds3

About N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide

N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide (PubChem CID 102979634) has the molecular formula C14H11Cl3N2O and a molecular weight of 329.61 g/mol. Its IUPAC name is N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide
PubChem CID102979634
Molecular FormulaC14H11Cl3N2O
Molecular Weight329.61 g/mol
Exact Mass327.99
IUPAC NameN-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide
SMILESCc1cnc(Cl)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl3N2O/c1-8-4-12(14(17)18-7-8)19-13(20)6-9-2-3-10(15)11(16)5-9/h2-5,7H,6H2,1H3,(H,19,20)
InChIKeyWHRAWTIUBDVIRM-UHFFFAOYSA-N
XLogP4.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.61
LogP ≤ 54.53
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

2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide
CID 102979817
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045442
2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
CID 113365492
2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691199
N-(2-amino-4-chlorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045441
N-(2-aminophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045267
2-(3,4-dichlorophenyl)-N-(3,4-dimethylphenyl)acetamide
CID 8743954
2-(3,4-dichlorophenyl)-N-(2-methyl-4-propoxyphenyl)acetamide
CID 60540563
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877305
N-(2-chloro-5-methyl-3-pyridinyl)-4-methoxy-3-methylbutanamide
CID 102979772
2-(3,4-dichlorophenyl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 7925219

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide (CID 102979634) is N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide is Cc1cnc(Cl)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is WHRAWTIUBDVIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O/c1-8-4-12(14(17)18-7-8)19-13(20)6-9-2-3-10(15)11(16)5-9/h2-5,7H,6H2,1H3,(H,19,20).
What are the key properties of N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide?
N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 329.61 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 102979634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).