3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide

C15H13BrFNO2 — CID 107952292

IUPAC3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
SMILESCOc1cccc(N(C)C(=O)c2cccc(Br)c2F)c1
InChIInChI=1S/C15H13BrFNO2/c1-18(10-5-3-6-11(9-10)20-2)15(19)12-7-4-8-13(16)14(12)17/h3-9H,1-2H3
InChIKeyHSPWVBJFVZJWET-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.87
Rot. Bonds3

About 3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide

3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide (PubChem CID 107952292) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
PubChem CID107952292
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
SMILESCOc1cccc(N(C)C(=O)c2cccc(Br)c2F)c1
InChIInChI=1S/C15H13BrFNO2/c1-18(10-5-3-6-11(9-10)20-2)15(19)12-7-4-8-13(16)14(12)17/h3-9H,1-2H3
InChIKeyHSPWVBJFVZJWET-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-fluoro-N-(3-methoxyphenyl)-N-methylpyridine-4-carboxamide
CID 105385330
4-fluoro-2-hydroxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 107015204
2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
CID 63110478
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
3-bromo-2-fluoro-N-methyl-N-propan-2-ylbenzamide
CID 106544486
2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 103774616
3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 106544075
2-chloro-N-(3-methoxyphenyl)-N-methylfuran-3-carboxamide
CID 106686697
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468
N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881879

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide (CID 107952292) is 3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide is COc1cccc(N(C)C(=O)c2cccc(Br)c2F)c1.
What is the InChIKey of 3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide?
The InChIKey is HSPWVBJFVZJWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-18(10-5-3-6-11(9-10)20-2)15(19)12-7-4-8-13(16)14(12)17/h3-9H,1-2H3.
What are the key properties of 3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide?
3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide has a molecular weight of 338.18 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 107952292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).