3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide

C19H21BrN2O3 — CID 27875323

IUPAC3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COc2cccc(Br)c2)c1
InChIInChI=1S/C19H21BrN2O3/c1-3-22(4-2)19(24)14-7-5-9-16(11-14)21-18(23)13-25-17-10-6-8-15(20)12-17/h5-12H,3-4,13H2,1-2H3,(H,21,23)
InChIKeyLQTLTCFHHJHNCO-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.95
Rot. Bonds7

About 3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide

3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 27875323) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
PubChem CID27875323
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)COc2cccc(Br)c2)c1
InChIInChI=1S/C19H21BrN2O3/c1-3-22(4-2)19(24)14-7-5-9-16(11-14)21-18(23)13-25-17-10-6-8-15(20)12-17/h5-12H,3-4,13H2,1-2H3,(H,21,23)
InChIKeyLQTLTCFHHJHNCO-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
CID 60607023
N,N-diethyl-3-[[2-(4-propoxyphenoxy)acetyl]amino]benzamide
CID 78775457
3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17194482
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
3-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 9229534
3-[(2-phenoxyacetyl)amino]-N,N-dipropylbenzamide
CID 26162248
3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide
CID 29464616
N,N-diethyl-3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]benzamide
CID 8648051
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 8579079
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 31288850
N-(3-bromophenyl)-2-(3-hydroxyphenoxy)acetamide
CID 43143567
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 9230199

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide (CID 27875323) is 3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC(=O)COc2cccc(Br)c2)c1.
What is the InChIKey of 3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is LQTLTCFHHJHNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-3-22(4-2)19(24)14-7-5-9-16(11-14)21-18(23)13-25-17-10-6-8-15(20)12-17/h5-12H,3-4,13H2,1-2H3,(H,21,23).
What are the key properties of 3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide?
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 405.29 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 27875323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).