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

C16H17BrN2O2 — CID 82989678

IUPAC3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide
SMILESCc1ccc(Oc2ccc(C(=O)N(C)C)cc2N)c(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-10-4-6-14(12(17)8-10)21-15-7-5-11(9-13(15)18)16(20)19(2)3/h4-9H,18H2,1-3H3
InChIKeyRYVOXIQMVWKCAJ-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.83
Rot. Bonds3

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

3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide (PubChem CID 82989678) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide
PubChem CID82989678
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide
SMILESCc1ccc(Oc2ccc(C(=O)N(C)C)cc2N)c(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-10-4-6-14(12(17)8-10)21-15-7-5-11(9-13(15)18)16(20)19(2)3/h4-9H,18H2,1-3H3
InChIKeyRYVOXIQMVWKCAJ-UHFFFAOYSA-N
XLogP3.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide
CID 64720406
3-amino-N,N-dimethyl-4-(3-methylphenoxy)benzamide
CID 82993412
3-amino-4-[4-(hydroxymethyl)phenoxy]-N,N-dimethylbenzamide
CID 82990529
3-amino-4-(2,5-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992739
2-(2-bromo-4-methylphenoxy)-5-iodoaniline
CID 66079971
3-amino-4-(2,3-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992737
3-amino-N,N-dimethyl-4-(4-methylsulfanylphenoxy)benzamide
CID 82992971
3-amino-4-(2,4-dibromophenoxy)benzamide
CID 64720185
1-[3-amino-4-(2-bromo-4-chlorophenoxy)phenyl]ethanone
CID 170632658
3-amino-4-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708160
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571
2-(2-bromo-4-methylphenoxy)-4,5-dimethoxyaniline
CID 83008306

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide (CID 82989678) is 3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide is Cc1ccc(Oc2ccc(C(=O)N(C)C)cc2N)c(Br)c1.
What is the InChIKey of 3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide?
The InChIKey is RYVOXIQMVWKCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-4-6-14(12(17)8-10)21-15-7-5-11(9-13(15)18)16(20)19(2)3/h4-9H,18H2,1-3H3.
What are the key properties of 3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide?
3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide has a molecular weight of 349.23 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide is sourced from PubChem (CID 82989678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).