2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide

C18H18BrFN2O2 — CID 26313397

IUPAC2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(F)cc2Br)c1
InChIInChI=1S/C18H18BrFN2O2/c1-3-22(4-2)18(24)12-6-5-7-14(10-12)21-17(23)15-9-8-13(20)11-16(15)19/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKeySUVONGMYIJMDGB-UHFFFAOYSA-N
MW393.26 g/mol
LogP4.32
Rot. Bonds5

About 2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide

2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide (PubChem CID 26313397) has the molecular formula C18H18BrFN2O2 and a molecular weight of 393.26 g/mol. Its IUPAC name is 2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
PubChem CID26313397
Molecular FormulaC18H18BrFN2O2
Molecular Weight393.26 g/mol
Exact Mass392.05
IUPAC Name2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2ccc(F)cc2Br)c1
InChIInChI=1S/C18H18BrFN2O2/c1-3-22(4-2)18(24)12-6-5-7-14(10-12)21-17(23)15-9-8-13(20)11-16(15)19/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKeySUVONGMYIJMDGB-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-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 9193061
N-[3-(diethylcarbamoyl)phenyl]-2-fluorobenzamide
CID 17194604
2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide
CID 53245435
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
2-bromo-N-[3-(dipropylcarbamoyl)phenyl]benzamide
CID 26162225
2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 28739689
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 55368088
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
N-[3-(diethylcarbamoyl)phenyl]-4-methoxynaphthalene-1-carboxamide
CID 39964708
N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 26712749

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide (CID 26313397) is 2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide is CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(F)cc2Br)c1.
What is the InChIKey of 2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide?
The InChIKey is SUVONGMYIJMDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2/c1-3-22(4-2)18(24)12-6-5-7-14(10-12)21-17(23)15-9-8-13(20)11-16(15)19/h5-11H,3-4H2,1-2H3,(H,21,23).
What are the key properties of 2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide?
2-bromo-N-[3-(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-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 26313397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).