N-(4-bromo-2-methylphenyl)-4-fluorobenzamide

C14H11BrFNO — CID 579428

IUPACN-(4-bromo-2-methylphenyl)-4-fluorobenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H11BrFNO/c1-9-8-11(15)4-7-13(9)17-14(18)10-2-5-12(16)6-3-10/h2-8H,1H3,(H,17,18)
InChIKeyXPCVXNBKCQHFFK-UHFFFAOYSA-N
MW308.15 g/mol
LogP4.15
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-4-fluorobenzamide

N-(4-bromo-2-methylphenyl)-4-fluorobenzamide (PubChem CID 579428) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-fluorobenzamide
PubChem CID579428
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC NameN-(4-bromo-2-methylphenyl)-4-fluorobenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H11BrFNO/c1-9-8-11(15)4-7-13(9)17-14(18)10-2-5-12(16)6-3-10/h2-8H,1H3,(H,17,18)
InChIKeyXPCVXNBKCQHFFK-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-fluorobenzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-fluorobenzamide (CID 579428) is N-(4-bromo-2-methylphenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-fluorobenzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-fluorobenzamide is Cc1cc(Br)ccc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-fluorobenzamide?
The InChIKey is XPCVXNBKCQHFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c1-9-8-11(15)4-7-13(9)17-14(18)10-2-5-12(16)6-3-10/h2-8H,1H3,(H,17,18).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-fluorobenzamide?
N-(4-bromo-2-methylphenyl)-4-fluorobenzamide has a molecular weight of 308.15 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 579428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).