2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide

C18H18BrFN2O2 — CID 9193061

IUPAC2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C18H18BrFN2O2/c1-3-22(4-2)18(24)12-5-8-14(9-6-12)21-17(23)15-10-7-13(20)11-16(15)19/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKeyYBMROHZJEBOSTQ-UHFFFAOYSA-N
MW393.26 g/mol
LogP4.32
Rot. Bonds5

About 2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide

2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide (PubChem CID 9193061) has the molecular formula C18H18BrFN2O2 and a molecular weight of 393.26 g/mol. Its IUPAC name is 2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
PubChem CID9193061
Molecular FormulaC18H18BrFN2O2
Molecular Weight393.26 g/mol
Exact Mass392.05
IUPAC Name2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C18H18BrFN2O2/c1-3-22(4-2)18(24)12-5-8-14(9-6-12)21-17(23)15-10-7-13(20)11-16(15)19/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKeyYBMROHZJEBOSTQ-UHFFFAOYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 26313397
2-bromo-4-fluoro-N-(4-formylphenyl)benzamide
CID 106912100
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 26899774
5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide
CID 2603913
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 9191814
5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17196839
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
3-chloro-N-[4-(diethylcarbamoyl)phenyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 8503964
N-[4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39694099
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473
5-bromo-N-[4-(diethylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 94042730

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide (CID 9193061) is 2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(F)cc2Br)cc1.
What is the InChIKey of 2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide?
The InChIKey is YBMROHZJEBOSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2/c1-3-22(4-2)18(24)12-5-8-14(9-6-12)21-17(23)15-10-7-13(20)11-16(15)19/h5-11H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide?
2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide has a molecular weight of 393.26 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 9193061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).