N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide

C23H21BrN2O2 — CID 17358116

IUPACN-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide
SMILESCCc1ccc(C(=O)N(C(=O)c2ccc(CC)cc2)c2ccc(Br)cn2)cc1
InChIInChI=1S/C23H21BrN2O2/c1-3-16-5-9-18(10-6-16)22(27)26(21-14-13-20(24)15-25-21)23(28)19-11-7-17(4-2)8-12-19/h5-15H,3-4H2,1-2H3
InChIKeyNUSKLQVZHPAZSM-UHFFFAOYSA-N
MW437.34 g/mol
LogP5.46
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide

N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide (PubChem CID 17358116) has the molecular formula C23H21BrN2O2 and a molecular weight of 437.34 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide
PubChem CID17358116
Molecular FormulaC23H21BrN2O2
Molecular Weight437.34 g/mol
Exact Mass436.08
IUPAC NameN-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide
SMILESCCc1ccc(C(=O)N(C(=O)c2ccc(CC)cc2)c2ccc(Br)cn2)cc1
InChIInChI=1S/C23H21BrN2O2/c1-3-16-5-9-18(10-6-16)22(27)26(21-14-13-20(24)15-25-21)23(28)19-11-7-17(4-2)8-12-19/h5-15H,3-4H2,1-2H3
InChIKeyNUSKLQVZHPAZSM-UHFFFAOYSA-N
XLogP5.46
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.34
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-propoxy-N-(4-propoxybenzoyl)benzamide
CID 21229756
N-(5-bromo-2-pyridinyl)-2-(4-ethylphenyl)-N-methylacetamide
CID 115274145
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
N-(5-bromo-2-pyridinyl)-4-chloro-N-methylbenzamide
CID 115268312
N-(5-cyano-2-pyridinyl)-4-ethyl-N-methylbenzamide
CID 115273533
4-bromo-N-(4-bromobenzoyl)-N-pyridin-2-ylbenzamide
CID 3748947
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
1-bromo-4-ethylbenzene
CID 15313
2-(4-bromophenyl)sulfonyl-1-(4-ethylphenyl)ethanone
CID 64643722
N-(5-bromo-2-pyridinyl)-N,2,2-trimethylpropanamide
CID 115268287
methyl N-(5-bromo-2-pyridinyl)-N-methylcarbamate
CID 115268324
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-ethyl-N-methylbenzamide
CID 19460410

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide (CID 17358116) is N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide is CCc1ccc(C(=O)N(C(=O)c2ccc(CC)cc2)c2ccc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide?
The InChIKey is NUSKLQVZHPAZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O2/c1-3-16-5-9-18(10-6-16)22(27)26(21-14-13-20(24)15-25-21)23(28)19-11-7-17(4-2)8-12-19/h5-15H,3-4H2,1-2H3.
What are the key properties of N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide?
N-(5-bromo-2-pyridinyl)-4-ethyl-N-(4-ethylbenzoyl)benzamide has a molecular weight of 437.34 g/mol, XLogP of 5.46, 5 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)-4-ethyl-N-(4-ethylbenzoyl)benzamide is sourced from PubChem (CID 17358116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).