N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide

C16H15BrFNO2 — CID 81287800

IUPACN-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1c(F)cccc1OC
InChIInChI=1S/C16H15BrFNO2/c1-3-10-9-11(17)7-8-13(10)19-16(20)15-12(18)5-4-6-14(15)21-2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyLKEMJDWHZTUTAQ-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.41
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide

N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide (PubChem CID 81287800) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide
PubChem CID81287800
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC NameN-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1c(F)cccc1OC
InChIInChI=1S/C16H15BrFNO2/c1-3-10-9-11(17)7-8-13(10)19-16(20)15-12(18)5-4-6-14(15)21-2/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyLKEMJDWHZTUTAQ-UHFFFAOYSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434983
N-(2-bromo-5-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 103756076
N-(2-bromophenyl)-2-fluoro-6-methoxybenzamide
CID 65432090
N-(5-bromo-2-methoxyphenyl)-2-chloro-6-fluorobenzamide
CID 47317659
2-fluoro-N-(4-fluoro-2-iodophenyl)-6-methoxybenzamide
CID 79766807
N-(2-bromo-5-chlorophenyl)-2-fluoro-6-methoxybenzamide
CID 81272722
N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide
CID 81003488
N-(2-chloro-4-hydroxyphenyl)-2-fluoro-6-methoxybenzamide
CID 65434031
N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 82683757
1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea
CID 2211517
N-[(4-bromo-2-fluorophenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 1292820
N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
CID 114343713

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide (CID 81287800) is N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide is CCc1cc(Br)ccc1NC(=O)c1c(F)cccc1OC.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is LKEMJDWHZTUTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-3-10-9-11(17)7-8-13(10)19-16(20)15-12(18)5-4-6-14(15)21-2/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide?
N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide has a molecular weight of 352.20 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 81287800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).