2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide

C22H19Cl2N3O2 — CID 24509245

IUPAC2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)Cc2c(Cl)cc(C)nc2Cl)c1
InChIInChI=1S/C22H19Cl2N3O2/c1-13-6-5-7-15(10-13)26-22(29)16-8-3-4-9-19(16)27-20(28)12-17-18(23)11-14(2)25-21(17)24/h3-11H,12H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyLXJYLLPWFQECCS-UHFFFAOYSA-N
MW428.32 g/mol
LogP5.44
Rot. Bonds5

About 2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide

2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 24509245) has the molecular formula C22H19Cl2N3O2 and a molecular weight of 428.32 g/mol. Its IUPAC name is 2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID24509245
Molecular FormulaC22H19Cl2N3O2
Molecular Weight428.32 g/mol
Exact Mass427.09
IUPAC Name2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)Cc2c(Cl)cc(C)nc2Cl)c1
InChIInChI=1S/C22H19Cl2N3O2/c1-13-6-5-7-15(10-13)26-22(29)16-8-3-4-9-19(16)27-20(28)12-17-18(23)11-14(2)25-21(17)24/h3-11H,12H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyLXJYLLPWFQECCS-UHFFFAOYSA-N
XLogP5.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.32
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55413192
2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55811206
N-(3-methylphenyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide
CID 2223034
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55411601
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 24509105
N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 18140096
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8874197
N-(3-methylphenyl)-2-(propylamino)benzamide
CID 62171242
2-[[2-(2-ethoxyanilino)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 30568013
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 6028561
[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199226

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide (CID 24509245) is 2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)Cc2c(Cl)cc(C)nc2Cl)c1.
What is the InChIKey of 2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is LXJYLLPWFQECCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O2/c1-13-6-5-7-15(10-13)26-22(29)16-8-3-4-9-19(16)27-20(28)12-17-18(23)11-14(2)25-21(17)24/h3-11H,12H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide?
2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 428.32 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 24509245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).