3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide

C14H10BrF2NO2 — CID 106544979

IUPAC3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(Br)c2F)ccc1F
InChIInChI=1S/C14H10BrF2NO2/c1-20-12-7-8(5-6-11(12)16)18-14(19)9-3-2-4-10(15)13(9)17/h2-7H,1H3,(H,18,19)
InChIKeyNNTLMPAUFHIOFD-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.99
Rot. Bonds3

About 3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide

3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide (PubChem CID 106544979) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
PubChem CID106544979
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC Name3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(Br)c2F)ccc1F
InChIInChI=1S/C14H10BrF2NO2/c1-20-12-7-8(5-6-11(12)16)18-14(19)9-3-2-4-10(15)13(9)17/h2-7H,1H3,(H,18,19)
InChIKeyNNTLMPAUFHIOFD-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 107951997
N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 114840033
2-bromo-4-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114839990
N-(3-bromo-4-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 80712346
N-(4-fluoro-3-methoxyphenyl)-2-sulfanylbenzamide
CID 107036539
N-(4-amino-3-fluorophenyl)-3-bromo-2-fluorobenzamide
CID 107948876
5-bromo-N-(4-fluoro-3-methoxyphenyl)-2-hydroxybenzamide
CID 105285229
3-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-2-fluorobenzamide
CID 106545841
N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide
CID 107948694
N-(4-chloro-3-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 107271805
5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide (CID 106544979) is 3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide is COc1cc(NC(=O)c2cccc(Br)c2F)ccc1F.
What is the InChIKey of 3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide?
The InChIKey is NNTLMPAUFHIOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c1-20-12-7-8(5-6-11(12)16)18-14(19)9-3-2-4-10(15)13(9)17/h2-7H,1H3,(H,18,19).
What are the key properties of 3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide?
3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide has a molecular weight of 342.14 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide is sourced from PubChem (CID 106544979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).