2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide

C21H17BrFNO — CID 56522962

IUPAC2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17BrFNO/c1-21(15-8-4-2-5-9-15,16-10-6-3-7-11-16)24-20(25)18-13-12-17(23)14-19(18)22/h2-14H,1H3,(H,24,25)
InChIKeyUJDFMCIKNBFYPR-UHFFFAOYSA-N
MW398.28 g/mol
LogP5.28
Rot. Bonds4

About 2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide

2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide (PubChem CID 56522962) has the molecular formula C21H17BrFNO and a molecular weight of 398.28 g/mol. Its IUPAC name is 2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide
PubChem CID56522962
Molecular FormulaC21H17BrFNO
Molecular Weight398.28 g/mol
Exact Mass397.05
IUPAC Name2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide
SMILESCC(NC(=O)c1ccc(F)cc1Br)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17BrFNO/c1-21(15-8-4-2-5-9-15,16-10-6-3-7-11-16)24-20(25)18-13-12-17(23)14-19(18)22/h2-14H,1H3,(H,24,25)
InChIKeyUJDFMCIKNBFYPR-UHFFFAOYSA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.28
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide
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2-bromo-4-fluoro-N-phenylbenzamide
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2-[(2-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid
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N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide
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2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
N-benzhydryl-2-bromo-4-fluorobenzamide
CID 9192491
2-bromo-4-fluorobenzohydrazide
CID 16780865
2-bromo-N-(3,3-dimethylbutyl)-4-fluorobenzamide
CID 115580238
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4-fluorobenzamide;hydrochloride
CID 119570474
2-bromo-N-(3-carbamothioylpentan-3-yl)-4-fluorobenzamide
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CID 81486385

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide (CID 56522962) is 2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide is CC(NC(=O)c1ccc(F)cc1Br)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide?
The InChIKey is UJDFMCIKNBFYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFNO/c1-21(15-8-4-2-5-9-15,16-10-6-3-7-11-16)24-20(25)18-13-12-17(23)14-19(18)22/h2-14H,1H3,(H,24,25).
What are the key properties of 2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide?
2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide has a molecular weight of 398.28 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,1-diphenylethyl)-4-fluorobenzamide is sourced from PubChem (CID 56522962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).