N-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide

C23H21BrN2O2 — CID 17273901

IUPACN-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C(=O)c2ccc(C)cc2C)c2ccc(Br)cn2)c(C)c1
InChIInChI=1S/C23H21BrN2O2/c1-14-5-8-19(16(3)11-14)22(27)26(21-10-7-18(24)13-25-21)23(28)20-9-6-15(2)12-17(20)4/h5-13H,1-4H3
InChIKeyIWRKDAIGDNIHNU-UHFFFAOYSA-N
MW437.34 g/mol
LogP5.56
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide

N-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide (PubChem CID 17273901) has the molecular formula C23H21BrN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide
PubChem CID17273901
Molecular FormulaC23H21BrN2O2
Molecular Weight437.34 g/mol
Exact Mass436.08
IUPAC NameN-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C(=O)c2ccc(C)cc2C)c2ccc(Br)cn2)c(C)c1
InChIInChI=1S/C23H21BrN2O2/c1-14-5-8-19(16(3)11-14)22(27)26(21-10-7-18(24)13-25-21)23(28)20-9-6-15(2)12-17(20)4/h5-13H,1-4H3
InChIKeyIWRKDAIGDNIHNU-UHFFFAOYSA-N
XLogP5.56
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 55.56
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 N-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide (CID 17273901) is N-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2C)c2ccc(Br)cn2)c(C)c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide?
The InChIKey is IWRKDAIGDNIHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O2/c1-14-5-8-19(16(3)11-14)22(27)26(21-10-7-18(24)13-25-21)23(28)20-9-6-15(2)12-17(20)4/h5-13H,1-4H3.
What are the key properties of N-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide?
N-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide has a molecular weight of 437.34 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-N-(2,4-dimethylbenzoyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 17273901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).