2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide

C22H18Cl2N2O2 — CID 2959820

IUPAC2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(C(=O)N(C(=O)c2ccc(C)cc2Cl)c2ncccc2C)c(Cl)c1
InChIInChI=1S/C22H18Cl2N2O2/c1-13-6-8-16(18(23)11-13)21(27)26(20-15(3)5-4-10-25-20)22(28)17-9-7-14(2)12-19(17)24/h4-12H,1-3H3
InChIKeyZVUSBHGUJSCJKB-UHFFFAOYSA-N
MW413.30 g/mol
LogP5.80
Rot. Bonds3

About 2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide

2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide (PubChem CID 2959820) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide
PubChem CID2959820
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC Name2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(C(=O)N(C(=O)c2ccc(C)cc2Cl)c2ncccc2C)c(Cl)c1
InChIInChI=1S/C22H18Cl2N2O2/c1-13-6-8-16(18(23)11-13)21(27)26(20-15(3)5-4-10-25-20)22(28)17-9-7-14(2)12-19(17)24/h4-12H,1-3H3
InChIKeyZVUSBHGUJSCJKB-UHFFFAOYSA-N
XLogP5.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.30
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide (CID 2959820) is 2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide is Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2Cl)c2ncccc2C)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide?
The InChIKey is ZVUSBHGUJSCJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c1-13-6-8-16(18(23)11-13)21(27)26(20-15(3)5-4-10-25-20)22(28)17-9-7-14(2)12-19(17)24/h4-12H,1-3H3.
What are the key properties of 2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide?
2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide has a molecular weight of 413.30 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-4-methylbenzoyl)-4-methyl-N-(3-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 2959820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).