3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide

C14H17BrClNO2S — CID 103988564

IUPAC3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1cccc(Br)c1Cl)C1CCSC1
InChIInChI=1S/C14H17BrClNO2S/c1-19-7-6-17(10-5-8-20-9-10)14(18)11-3-2-4-12(15)13(11)16/h2-4,10H,5-9H2,1H3
InChIKeyHRNQRIXOWBSYJO-UHFFFAOYSA-N
MW378.72 g/mol
LogP3.70
Rot. Bonds5

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

3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide (PubChem CID 103988564) has the molecular formula C14H17BrClNO2S and a molecular weight of 378.72 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
PubChem CID103988564
Molecular FormulaC14H17BrClNO2S
Molecular Weight378.72 g/mol
Exact Mass376.99
IUPAC Name3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1cccc(Br)c1Cl)C1CCSC1
InChIInChI=1S/C14H17BrClNO2S/c1-19-7-6-17(10-5-8-20-9-10)14(18)11-3-2-4-12(15)13(11)16/h2-4,10H,5-9H2,1H3
InChIKeyHRNQRIXOWBSYJO-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.72
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 114559503
2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 103883157
3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide
CID 61106398
5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide
CID 79930252
4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide
CID 60945101
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 60955201
3-bromo-2-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 103988730
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 61106399
3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 79759087
4-amino-N-(2-methoxyethyl)-1-methyl-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106233
N-cyclopropyl-2-hydroxy-N-(2-methoxyethyl)-3-methylbenzamide
CID 60794549
3-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-carboxamide
CID 64523862

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide (CID 103988564) is 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide is COCCN(C(=O)c1cccc(Br)c1Cl)C1CCSC1.
What is the InChIKey of 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The InChIKey is HRNQRIXOWBSYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO2S/c1-19-7-6-17(10-5-8-20-9-10)14(18)11-3-2-4-12(15)13(11)16/h2-4,10H,5-9H2,1H3.
What are the key properties of 3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide has a molecular weight of 378.72 g/mol, XLogP of 3.70, 5 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-(thiolan-3-yl)benzamide is sourced from PubChem (CID 103988564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).