4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide

C15H14Br2N2O2 — CID 64720406

IUPAC4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(Oc2ccc(Br)cc2Br)c1
InChIInChI=1S/C15H14Br2N2O2/c1-19(2)15(20)9-3-5-12(18)14(7-9)21-13-6-4-10(16)8-11(13)17/h3-8H,18H2,1-2H3
InChIKeyKKWFCQUFDLZFQO-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.29
Rot. Bonds3

About 4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide

4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide (PubChem CID 64720406) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide
PubChem CID64720406
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(Oc2ccc(Br)cc2Br)c1
InChIInChI=1S/C15H14Br2N2O2/c1-19(2)15(20)9-3-5-12(18)14(7-9)21-13-6-4-10(16)8-11(13)17/h3-8H,18H2,1-2H3
InChIKeyKKWFCQUFDLZFQO-UHFFFAOYSA-N
XLogP4.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.29
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

3-amino-4-(2-bromo-4-methylphenoxy)-N,N-dimethylbenzamide
CID 82989678
3-amino-4-(2,4-dibromophenoxy)benzamide
CID 64720185
4-amino-N,N-dimethyl-3-[(2-methylpropan-2-yl)oxy]benzamide
CID 63358733
4-amino-3-(4-bromo-2-fluorophenoxy)benzamide
CID 63356585
4-amino-N,N-dimethyl-3-pyridin-3-yloxybenzamide
CID 63358470
4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
CID 65342586
4-(2,4-dibromophenoxy)benzene-1,2-diamine
CID 106748492
3-amino-4-(2-methoxyethoxy)-N,N-dimethylbenzamide
CID 82991549
4-amino-N,N-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941779
4-bromo-2-(2,5-dibromo-4-methoxyphenoxy)aniline
CID 79415483
4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide
CID 131254878
4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide
CID 103400871

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide (CID 64720406) is 4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(Oc2ccc(Br)cc2Br)c1.
What is the InChIKey of 4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide?
The InChIKey is KKWFCQUFDLZFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-19(2)15(20)9-3-5-12(18)14(7-9)21-13-6-4-10(16)8-11(13)17/h3-8H,18H2,1-2H3.
What are the key properties of 4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide?
4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide has a molecular weight of 414.10 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,4-dibromophenoxy)-N,N-dimethylbenzamide is sourced from PubChem (CID 64720406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).