2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide

C14H11BrFNO2 — CID 9191814

IUPAC2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H11BrFNO2/c1-19-11-5-3-10(4-6-11)17-14(18)12-7-2-9(16)8-13(12)15/h2-8H,1H3,(H,17,18)
InChIKeyLVQVHFSPKDQOLB-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.85
Rot. Bonds3

About 2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide

2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide (PubChem CID 9191814) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
PubChem CID9191814
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(F)cc2Br)cc1
InChIInChI=1S/C14H11BrFNO2/c1-19-11-5-3-10(4-6-11)17-14(18)12-7-2-9(16)8-13(12)15/h2-8H,1H3,(H,17,18)
InChIKeyLVQVHFSPKDQOLB-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[4-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 9273476
2-bromo-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114839990
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-bromo-4-fluorobenzoate
CID 8975416
3-bromo-N-(4-fluorophenyl)-2,5-dimethoxybenzamide
CID 24640379
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
2-bromo-4-fluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 60739114
2-bromo-4-fluoro-N-(4-formylphenyl)benzamide
CID 106912100
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
2-bromo-4-fluoro-N-(4-nitrophenyl)benzamide
CID 18197888
2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 9193061

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide (CID 9191814) is 2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(F)cc2Br)cc1.
What is the InChIKey of 2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide?
The InChIKey is LVQVHFSPKDQOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-19-11-5-3-10(4-6-11)17-14(18)12-7-2-9(16)8-13(12)15/h2-8H,1H3,(H,17,18).
What are the key properties of 2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide?
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide has a molecular weight of 324.15 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 9191814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).