4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide

C18H20BrNO2 — CID 55833445

IUPAC4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H20BrNO2/c1-4-22-16-8-5-14(6-9-16)12-20(3)18(21)17-10-7-15(19)11-13(17)2/h5-11H,4,12H2,1-3H3
InChIKeyNRKMHFQXUDXKIU-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.43
Rot. Bonds5

About 4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide

4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide (PubChem CID 55833445) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide
PubChem CID55833445
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H20BrNO2/c1-4-22-16-8-5-14(6-9-16)12-20(3)18(21)17-10-7-15(19)11-13(17)2/h5-11H,4,12H2,1-3H3
InChIKeyNRKMHFQXUDXKIU-UHFFFAOYSA-N
XLogP4.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
1-(4-bromophenyl)-N-[(4-ethoxyphenyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 32655349
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
N-[(4-ethoxyphenyl)methyl]-N,3-dimethylfuran-2-carboxamide
CID 134044703
5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 78788525
3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide
CID 34865376
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
2,4-dibromo-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 103882406
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 34865342
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-3-nitrobenzamide
CID 27822984

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of 4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide (CID 55833445) is 4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide is CCOc1ccc(CN(C)C(=O)c2ccc(Br)cc2C)cc1.
What is the InChIKey of 4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide?
The InChIKey is NRKMHFQXUDXKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-4-22-16-8-5-14(6-9-16)12-20(3)18(21)17-10-7-15(19)11-13(17)2/h5-11H,4,12H2,1-3H3.
What are the key properties of 4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide?
4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide has a molecular weight of 362.27 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-ethoxyphenyl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 55833445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).