3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide

C14H19BrClNO3 — CID 103988730

IUPAC3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCCN(C(=O)c1cccc(Br)c1Cl)C(C)COC
InChIInChI=1S/C14H19BrClNO3/c1-10(9-20-3)17(7-8-19-2)14(18)11-5-4-6-12(15)13(11)16/h4-6,10H,7-9H2,1-3H3
InChIKeyKWGREMUNKLONNR-UHFFFAOYSA-N
MW364.67 g/mol
LogP3.23
Rot. Bonds7

About 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide

3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 103988730) has the molecular formula C14H19BrClNO3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
PubChem CID103988730
Molecular FormulaC14H19BrClNO3
Molecular Weight364.67 g/mol
Exact Mass363.02
IUPAC Name3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCCN(C(=O)c1cccc(Br)c1Cl)C(C)COC
InChIInChI=1S/C14H19BrClNO3/c1-10(9-20-3)17(7-8-19-2)14(18)11-5-4-6-12(15)13(11)16/h4-6,10H,7-9H2,1-3H3
InChIKeyKWGREMUNKLONNR-UHFFFAOYSA-N
XLogP3.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54945937
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
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3-bromo-2-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103975283
2-amino-6-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 63659332
2-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-5-methylbenzamide
CID 62508733
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185
3-bromo-2-chloro-N-(1-methoxypentan-2-yl)benzamide
CID 113402978
3-bromo-2-chloro-N-methyl-N-(3-methylbutyl)benzamide
CID 103988541
3-bromo-2-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103988617
2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 86982098
3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 103988564

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide (CID 103988730) is 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide is COCCN(C(=O)c1cccc(Br)c1Cl)C(C)COC.
What is the InChIKey of 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is KWGREMUNKLONNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO3/c1-10(9-20-3)17(7-8-19-2)14(18)11-5-4-6-12(15)13(11)16/h4-6,10H,7-9H2,1-3H3.
What are the key properties of 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide?
3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 364.67 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 103988730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).