3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide

C18H19BrN2O4 — CID 60537519

IUPAC3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O4/c1-21(2)18(23)12-4-9-16(24-3)15(10-12)20-17(22)11-25-14-7-5-13(19)6-8-14/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyCOZHTVKAGDAVKR-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.18
Rot. Bonds6

About 3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide

3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide (PubChem CID 60537519) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is 3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide
PubChem CID60537519
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC Name3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O4/c1-21(2)18(23)12-4-9-16(24-3)15(10-12)20-17(22)11-25-14-7-5-13(19)6-8-14/h4-10H,11H2,1-3H3,(H,20,22)
InChIKeyCOZHTVKAGDAVKR-UHFFFAOYSA-N
XLogP3.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N,N-dimethyl-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]benzamide
CID 55893966
N-(5-bromo-2-methoxyphenyl)-2-phenoxyacetamide
CID 47317656
3-[[2-(2-bromo-4-cyano-6-ethoxyphenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 55892956
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 40712962
2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4942499
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 1181190
4-chloro-3-[[2-(4-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 55670012
N-(5-bromo-2-methoxyphenyl)-2-methoxyacetamide
CID 61072543
4-chloro-N,N-dimethyl-3-[[2-(4-phenoxyphenoxy)acetyl]amino]benzamide
CID 38955675
4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840532

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide (CID 60537519) is 3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide is COc1ccc(C(=O)N(C)C)cc1NC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide?
The InChIKey is COZHTVKAGDAVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-21(2)18(23)12-4-9-16(24-3)15(10-12)20-17(22)11-25-14-7-5-13(19)6-8-14/h4-10H,11H2,1-3H3,(H,20,22).
What are the key properties of 3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide?
3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide has a molecular weight of 407.26 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromophenoxy)acetyl]amino]-4-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 60537519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).