2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide

C18H21BrN2O3 — CID 18078781

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C18H21BrN2O3/c1-21(11-13-4-6-14(19)7-5-13)12-18(22)20-16-9-8-15(23-2)10-17(16)24-3/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyUHRGBFIZQZIQJC-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.54
Rot. Bonds7

About 2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 18078781) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID18078781
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C18H21BrN2O3/c1-21(11-13-4-6-14(19)7-5-13)12-18(22)20-16-9-8-15(23-2)10-17(16)24-3/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyUHRGBFIZQZIQJC-UHFFFAOYSA-N
XLogP3.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 8798696
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
N-(2,4-dimethoxyphenyl)-2-[methyl(propyl)amino]acetamide
CID 47085287
2-[(3-chlorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9251366
N-(2,5-dimethoxyphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 8907896
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 8692437
4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143693
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 27204439
N-(2,5-dimethoxyphenyl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656790
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9197381
methyl 2-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9040291
1-[2-(4-bromophenyl)ethyl]-3-(2,4-dimethoxyphenyl)urea
CID 108902358

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide (CID 18078781) is 2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)Cc2ccc(Br)cc2)c(OC)c1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is UHRGBFIZQZIQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-21(11-13-4-6-14(19)7-5-13)12-18(22)20-16-9-8-15(23-2)10-17(16)24-3/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 393.28 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 18078781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).