5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide

C12H13BrClNOS — CID 107271703

IUPAC5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
SMILESCSC1(CNC(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C12H13BrClNOS/c1-17-12(4-5-12)7-15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeySHAWZMCMCNZVMV-UHFFFAOYSA-N
MW334.67 g/mol
LogP3.73
Rot. Bonds4

About 5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide

5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide (PubChem CID 107271703) has the molecular formula C12H13BrClNOS and a molecular weight of 334.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
PubChem CID107271703
Molecular FormulaC12H13BrClNOS
Molecular Weight334.67 g/mol
Exact Mass332.96
IUPAC Name5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
SMILESCSC1(CNC(=O)c2cc(Br)ccc2Cl)CC1
InChIInChI=1S/C12H13BrClNOS/c1-17-12(4-5-12)7-15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeySHAWZMCMCNZVMV-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.67
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorobenzamide
CID 114758312
2-bromo-5-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107299419
5-bromo-2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110631551
3-bromo-2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 107271664
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103709313
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
CID 107271725
5,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-carboxamide
CID 107271693
5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
CID 27449067
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364457

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide (CID 107271703) is 5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide is CSC1(CNC(=O)c2cc(Br)ccc2Cl)CC1.
What is the InChIKey of 5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide?
The InChIKey is SHAWZMCMCNZVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNOS/c1-17-12(4-5-12)7-15-11(16)9-6-8(13)2-3-10(9)14/h2-3,6H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide?
5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide has a molecular weight of 334.67 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 107271703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).