N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide

C21H18BrNO — CID 53268266

IUPACN-(2-bromo-4-ethylphenyl)-4-phenylbenzamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C21H18BrNO/c1-2-15-8-13-20(19(22)14-15)23-21(24)18-11-9-17(10-12-18)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,23,24)
InChIKeyKYZPGSZIWPHRJQ-UHFFFAOYSA-N
MW380.29 g/mol
LogP5.93
Rot. Bonds4

About N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide

N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide (PubChem CID 53268266) has the molecular formula C21H18BrNO and a molecular weight of 380.29 g/mol. Its IUPAC name is N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-4-ethylphenyl)-4-phenylbenzamide
PubChem CID53268266
Molecular FormulaC21H18BrNO
Molecular Weight380.29 g/mol
Exact Mass379.06
IUPAC NameN-(2-bromo-4-ethylphenyl)-4-phenylbenzamide
SMILESCCc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1
InChIInChI=1S/C21H18BrNO/c1-2-15-8-13-20(19(22)14-15)23-21(24)18-11-9-17(10-12-18)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,23,24)
InChIKeyKYZPGSZIWPHRJQ-UHFFFAOYSA-N
XLogP5.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.29
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide
CID 53267962
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142
2-bromo-N-(2-bromo-4-ethylphenyl)benzamide
CID 53268216
N-(2-bromo-4-ethylphenyl)-3-methylbenzamide
CID 53268245
N-(2-bromo-4-ethylphenyl)-3-chlorobenzamide
CID 53268205
N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 53268008
N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
CID 20786059
N-(2-bromo-4-ethylphenyl)-4-chloro-3-nitrobenzamide
CID 53268105
N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide
CID 2089579
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
N-(2-bromophenyl)-4-(chloromethyl)benzamide
CID 43156285

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide?
The IUPAC name of N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide (CID 53268266) is N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide.
What is the SMILES notation for N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide?
The canonical SMILES for N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide is CCc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide?
The InChIKey is KYZPGSZIWPHRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO/c1-2-15-8-13-20(19(22)14-15)23-21(24)18-11-9-17(10-12-18)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,23,24).
What are the key properties of N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide?
N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide has a molecular weight of 380.29 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-ethylphenyl)-4-phenylbenzamide is sourced from PubChem (CID 53268266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).