N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide

C15H13BrFNO2 — CID 63999813

IUPACN-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(C)ccc2F)cc1Br
InChIInChI=1S/C15H13BrFNO2/c1-9-3-5-13(17)11(7-9)15(19)18-10-4-6-14(20-2)12(16)8-10/h3-8H,1-2H3,(H,18,19)
InChIKeyOUHQVNIRXCUXDY-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.16
Rot. Bonds3

About N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide

N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide (PubChem CID 63999813) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide
PubChem CID63999813
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(C)ccc2F)cc1Br
InChIInChI=1S/C15H13BrFNO2/c1-9-3-5-13(17)11(7-9)15(19)18-10-4-6-14(20-2)12(16)8-10/h3-8H,1-2H3,(H,18,19)
InChIKeyOUHQVNIRXCUXDY-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-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
N-(3-amino-4-bromophenyl)-2-fluoro-5-methylbenzamide
CID 79767809
N-(5-bromo-2-methoxyphenyl)-2-fluoro-5-methylbenzamide
CID 62515870
N-(3-bromo-4-fluorophenyl)-2,5-dimethoxybenzamide
CID 115661440
N-(3-bromo-4-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 80712346
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-5-methylbenzamide
CID 43381005
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide
CID 61073474
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
CID 80973481
N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 103842569
N-(3-bromo-4-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 63998623

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide (CID 63999813) is N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide is COc1ccc(NC(=O)c2cc(C)ccc2F)cc1Br.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide?
The InChIKey is OUHQVNIRXCUXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-9-3-5-13(17)11(7-9)15(19)18-10-4-6-14(20-2)12(16)8-10/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide?
N-(3-bromo-4-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-(3-bromo-4-methoxyphenyl)-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 63999813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).