N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide

C18H20BrNO3 — CID 9079006

IUPACN-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
SMILESCCOCc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OC
InChIInChI=1S/C18H20BrNO3/c1-4-23-11-14-10-13(5-8-17(14)22-3)18(21)20-15-6-7-16(19)12(2)9-15/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeySKARZMSWRAZVDK-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.55
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide

N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide (PubChem CID 9079006) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
PubChem CID9079006
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
SMILESCCOCc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OC
InChIInChI=1S/C18H20BrNO3/c1-4-23-11-14-10-13(5-8-17(14)22-3)18(21)20-15-6-7-16(19)12(2)9-15/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeySKARZMSWRAZVDK-UHFFFAOYSA-N
XLogP4.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 34855718
N-(3-chloro-4-methoxyphenyl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 36843513
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
3-(ethoxymethyl)-4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 24502664
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(ethoxymethyl)-4-methoxybenzamide
CID 24516145
N-(4-bromo-3-methylphenyl)-3-methoxy-4-(2-methylpropoxy)benzamide
CID 18226846
N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide
CID 9086633
3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide
CID 9076960
N-(4-bromo-3-methylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3489384
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N'-(2-bromobenzoyl)-3-(ethoxymethyl)-4-methoxybenzohydrazide
CID 8870531
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide (CID 9079006) is N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide is CCOCc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OC.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide?
The InChIKey is SKARZMSWRAZVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-4-23-11-14-10-13(5-8-17(14)22-3)18(21)20-15-6-7-16(19)12(2)9-15/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide?
N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide has a molecular weight of 378.27 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(ethoxymethyl)-4-methoxybenzamide is sourced from PubChem (CID 9079006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).