2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide

C15H13Cl3N2O — CID 167931960

IUPAC2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cncc(Cl)c1Cl)c1cccc(Cl)c1
InChIInChI=1S/C15H13Cl3N2O/c1-15(2,9-4-3-5-10(16)6-9)14(21)20-12-8-19-7-11(17)13(12)18/h3-8H,1-2H3,(H,20,21)
InChIKeyOTHLKSVWLVEBAX-UHFFFAOYSA-N
MW343.64 g/mol
LogP4.96
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide

2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide (PubChem CID 167931960) has the molecular formula C15H13Cl3N2O and a molecular weight of 343.64 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide
PubChem CID167931960
Molecular FormulaC15H13Cl3N2O
Molecular Weight343.64 g/mol
Exact Mass342.01
IUPAC Name2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cncc(Cl)c1Cl)c1cccc(Cl)c1
InChIInChI=1S/C15H13Cl3N2O/c1-15(2,9-4-3-5-10(16)6-9)14(21)20-12-8-19-7-11(17)13(12)18/h3-8H,1-2H3,(H,20,21)
InChIKeyOTHLKSVWLVEBAX-UHFFFAOYSA-N
XLogP4.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.64
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-acetamido-2-methylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110438675
2-(3-chlorophenyl)-2-methyl-N-(5-methyl-2H-triazol-4-yl)propanamide
CID 126828995
N-(3-acetylphenyl)-2-(3-chlorophenyl)-2-methylpropanamide
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2-(3-chlorophenyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-methylpropanamide
CID 167921792
N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110439547
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628
2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide
CID 75372511
2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 110437654
N-(6-chloropyrazin-2-yl)-2-methyl-2-phenylpropanamide
CID 104820021
2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 110437686

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide (CID 167931960) is 2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide is CC(C)(C(=O)Nc1cncc(Cl)c1Cl)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide?
The InChIKey is OTHLKSVWLVEBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O/c1-15(2,9-4-3-5-10(16)6-9)14(21)20-12-8-19-7-11(17)13(12)18/h3-8H,1-2H3,(H,20,21).
What are the key properties of 2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide?
2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide has a molecular weight of 343.64 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(4,5-dichloro-3-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 167931960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).