2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide

C17H17BrN2O3 — CID 4942499

IUPAC2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3/c1-20(2)17(22)14-5-3-4-6-15(14)19-16(21)11-23-13-9-7-12(18)8-10-13/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyMVHBTCGYISDZJC-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.17
Rot. Bonds5

About 2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide

2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 4942499) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID4942499
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O3/c1-20(2)17(22)14-5-3-4-6-15(14)19-16(21)11-23-13-9-7-12(18)8-10-13/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyMVHBTCGYISDZJC-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4959325
2-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 4945967
2-(4-bromophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1068388
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 4944441
2-[[2-(4-bromophenoxy)acetyl]amino]-N-pyridin-3-ylbenzamide
CID 30335928
3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 60537519
2-(4-bromophenoxy)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 17074248
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
N,N-dimethyl-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938525

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide (CID 4942499) is 2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is MVHBTCGYISDZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-20(2)17(22)14-5-3-4-6-15(14)19-16(21)11-23-13-9-7-12(18)8-10-13/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide?
2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 377.24 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 4942499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).