N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide

C19H22Br2N2O3 — CID 27239909

IUPACN-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1cccc(CN(C)CC(=O)Nc2c(Br)cc(C)cc2Br)c1OC
InChIInChI=1S/C19H22Br2N2O3/c1-12-8-14(20)18(15(21)9-12)22-17(24)11-23(2)10-13-6-5-7-16(25-3)19(13)26-4/h5-9H,10-11H2,1-4H3,(H,22,24)
InChIKeyCGLGGFCIXUWIOM-UHFFFAOYSA-N
MW486.20 g/mol
LogP4.61
Rot. Bonds7

About N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide

N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 27239909) has the molecular formula C19H22Br2N2O3 and a molecular weight of 486.20 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
PubChem CID27239909
Molecular FormulaC19H22Br2N2O3
Molecular Weight486.20 g/mol
Exact Mass484.00
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1cccc(CN(C)CC(=O)Nc2c(Br)cc(C)cc2Br)c1OC
InChIInChI=1S/C19H22Br2N2O3/c1-12-8-14(20)18(15(21)9-12)22-17(24)11-23(2)10-13-6-5-7-16(25-3)19(13)26-4/h5-9H,10-11H2,1-4H3,(H,22,24)
InChIKeyCGLGGFCIXUWIOM-UHFFFAOYSA-N
XLogP4.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.20
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 24566360
N-(4-chloro-2-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9196707
2-[[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221876
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 9196683
2-[(2-bromophenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27204672
N-(tert-butylcarbamoyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2699241
N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24506925
ethyl 2-[[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8014461
N-(5-chloro-2-cyanophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2699271
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 2657702
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 27222414
N-(4-chloro-2-nitrophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 4880362

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide (CID 27239909) is N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide is COc1cccc(CN(C)CC(=O)Nc2c(Br)cc(C)cc2Br)c1OC.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is CGLGGFCIXUWIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Br2N2O3/c1-12-8-14(20)18(15(21)9-12)22-17(24)11-23(2)10-13-6-5-7-16(25-3)19(13)26-4/h5-9H,10-11H2,1-4H3,(H,22,24).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide?
N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 486.20 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 27239909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).