3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide

C18H19BrN2O3 — CID 17231792

IUPAC3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCc1ccc(OCC(=O)Nc2cccc(C(=O)N(C)C)c2)c(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-12-7-8-16(15(19)9-12)24-11-17(22)20-14-6-4-5-13(10-14)18(23)21(2)3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyNEZJKGRSOAPQNB-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.48
Rot. Bonds5

About 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide

3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 17231792) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID17231792
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCc1ccc(OCC(=O)Nc2cccc(C(=O)N(C)C)c2)c(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-12-7-8-16(15(19)9-12)24-11-17(22)20-14-6-4-5-13(10-14)18(23)21(2)3/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyNEZJKGRSOAPQNB-UHFFFAOYSA-N
XLogP3.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231891
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230671
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-propylbenzamide
CID 17222636
3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32626849
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 46761825
2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
2-ethoxyethyl 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]benzoate
CID 19166247
3-bromo-4-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 8707266
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide
CID 29464616
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17231899

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide (CID 17231792) is 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide is Cc1ccc(OCC(=O)Nc2cccc(C(=O)N(C)C)c2)c(Br)c1.
What is the InChIKey of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is NEZJKGRSOAPQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-12-7-8-16(15(19)9-12)24-11-17(22)20-14-6-4-5-13(10-14)18(23)21(2)3/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 391.27 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 17231792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).