N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide

C18H20BrNO2 — CID 100801729

IUPACN-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H20BrNO2/c1-5-13-10-15(19)9-12(3)17(13)20-18(21)14-6-7-16(22-4)11(2)8-14/h6-10H,5H2,1-4H3,(H,20,21)
InChIKeyYPUSCEYRTCOJEG-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.89
Rot. Bonds4

About N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide

N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide (PubChem CID 100801729) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide
PubChem CID100801729
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC NameN-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C18H20BrNO2/c1-5-13-10-15(19)9-12(3)17(13)20-18(21)14-6-7-16(22-4)11(2)8-14/h6-10H,5H2,1-4H3,(H,20,21)
InChIKeyYPUSCEYRTCOJEG-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-diethylphenyl)-4-methoxy-3-methylbenzamide
CID 100801731
N-(4-bromo-2-ethyl-6-methylphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 100795411
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737466
4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
CID 104782360
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-3-chlorobenzamide
CID 81295554
3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
CID 960097
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)-4-chlorobenzamide
CID 60928593
N-(4-bromo-2,6-dimethylphenyl)-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 100795511
N-(4-bromo-2-ethyl-6-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 100801390
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 100796931
N-(2-ethyl-6-methyl-4-nitrophenyl)-3,4-dimethylbenzamide
CID 50880734

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide?
The IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide (CID 100801729) is N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide.
What is the SMILES notation for N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide?
The canonical SMILES for N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide is CCc1cc(Br)cc(C)c1NC(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide?
The InChIKey is YPUSCEYRTCOJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-5-13-10-15(19)9-12(3)17(13)20-18(21)14-6-7-16(22-4)11(2)8-14/h6-10H,5H2,1-4H3,(H,20,21).
What are the key properties of N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide?
N-(4-bromo-2-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide has a molecular weight of 362.27 g/mol, XLogP of 4.89, 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-ethyl-6-methylphenyl)-4-methoxy-3-methylbenzamide is sourced from PubChem (CID 100801729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).