N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide

C16H15BrFNO — CID 81291060

IUPACN-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C16H15BrFNO/c1-3-11-8-13(17)6-7-15(11)19-16(20)12-5-4-10(2)14(18)9-12/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyOCUZGHWQPOOSLJ-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.71
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide

N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide (PubChem CID 81291060) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide
PubChem CID81291060
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC NameN-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide
SMILESCCc1cc(Br)ccc1NC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C16H15BrFNO/c1-3-11-8-13(17)6-7-15(11)19-16(20)12-5-4-10(2)14(18)9-12/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyOCUZGHWQPOOSLJ-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-ethylphenyl)-3-hydroxy-4-iodobenzamide
CID 104629754
3-fluoro-N-[2-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 60682262
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide
CID 81003337
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
N-[2-[(dimethylamino)methyl]phenyl]-3-fluoro-4-methylbenzamide
CID 31969058
3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 9087267
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
2-bromo-N-(4-bromo-2-ethylphenyl)-3-methylbenzamide
CID 103855381
N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107023428
N-(4-bromo-2-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062523

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide (CID 81291060) is N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide is CCc1cc(Br)ccc1NC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide?
The InChIKey is OCUZGHWQPOOSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-3-11-8-13(17)6-7-15(11)19-16(20)12-5-4-10(2)14(18)9-12/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide?
N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide has a molecular weight of 336.20 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 81291060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).