2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide

C15H13BrFNO — CID 60592661

IUPAC2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide
SMILESCCN(C(=O)c1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO/c1-2-18(12-9-7-11(17)8-10-12)15(19)13-5-3-4-6-14(13)16/h3-10H,2H2,1H3
InChIKeyYAYULIZASFNFCG-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.25
Rot. Bonds3

About 2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide

2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide (PubChem CID 60592661) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide
PubChem CID60592661
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide
SMILESCCN(C(=O)c1ccccc1Br)c1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO/c1-2-18(12-9-7-11(17)8-10-12)15(19)13-5-3-4-6-14(13)16/h3-10H,2H2,1H3
InChIKeyYAYULIZASFNFCG-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592425
N-ethyl-N-(4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114344262
N-ethyl-2-(ethylamino)-N-(4-fluorophenyl)benzamide
CID 62180324
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide
CID 60717668
3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
CID 103706641
N-ethyl-N-(4-fluorophenyl)-1H-indole-3-carboxamide
CID 60661185
2,5-dibromo-N-ethyl-N-phenylbenzamide
CID 53352174
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
4-bromo-N-ethyl-N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 60667423
N-ethyl-N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
CID 51198607
3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide
CID 60661053
3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide
CID 106544595

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide?
The IUPAC name of 2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide (CID 60592661) is 2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide is CCN(C(=O)c1ccccc1Br)c1ccc(F)cc1.
What is the InChIKey of 2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide?
The InChIKey is YAYULIZASFNFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-2-18(12-9-7-11(17)8-10-12)15(19)13-5-3-4-6-14(13)16/h3-10H,2H2,1H3.
What are the key properties of 2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide?
2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide has a molecular weight of 322.18 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 60592661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).