N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide

C15H13BrFNO2 — CID 62515870

IUPACN-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cc(C)ccc1F
InChIInChI=1S/C15H13BrFNO2/c1-9-3-5-12(17)11(7-9)15(19)18-13-8-10(16)4-6-14(13)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyVUNCDMVUDFHHAO-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.16
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide

N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide (PubChem CID 62515870) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
PubChem CID62515870
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
SMILESCOc1ccc(Br)cc1NC(=O)c1cc(C)ccc1F
InChIInChI=1S/C15H13BrFNO2/c1-9-3-5-12(17)11(7-9)15(19)18-13-8-10(16)4-6-14(13)20-2/h3-8H,1-2H3,(H,18,19)
InChIKeyVUNCDMVUDFHHAO-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-2,5-difluorobenzamide
CID 61074380
2-bromo-N-(5-bromo-2-methoxyphenyl)-5-methylbenzamide
CID 80974126
2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide
CID 103882118
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide
CID 47317531
N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 63999813
N-(5-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzamide
CID 79770618
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 103842569
N-(4-bromo-2-chlorophenyl)-2-methoxy-5-methylbenzamide
CID 34054741
N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 64949895

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide (CID 62515870) is N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide is COc1ccc(Br)cc1NC(=O)c1cc(C)ccc1F.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide?
The InChIKey is VUNCDMVUDFHHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-9-3-5-12(17)11(7-9)15(19)18-13-8-10(16)4-6-14(13)20-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide?
N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide has a molecular weight of 338.18 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 62515870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).