N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C13H15Cl2NOS — CID 107034934

IUPACN-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCc1cc(Cl)c(NC(=O)CC2(CS)CC2)cc1Cl
InChIInChI=1S/C13H15Cl2NOS/c1-8-4-10(15)11(5-9(8)14)16-12(17)6-13(7-18)2-3-13/h4-5,18H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyGPMKIKFCFCXMTJ-UHFFFAOYSA-N
MW304.24 g/mol
LogP4.34
Rot. Bonds4

About N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107034934) has the molecular formula C13H15Cl2NOS and a molecular weight of 304.24 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107034934
Molecular FormulaC13H15Cl2NOS
Molecular Weight304.24 g/mol
Exact Mass303.03
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESCc1cc(Cl)c(NC(=O)CC2(CS)CC2)cc1Cl
InChIInChI=1S/C13H15Cl2NOS/c1-8-4-10(15)11(5-9(8)14)16-12(17)6-13(7-18)2-3-13/h4-5,18H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyGPMKIKFCFCXMTJ-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide
CID 104727167
N-(2-chloro-6-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107031797
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
N-(4-bromo-5-fluoro-2-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107036112
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 104727030
(3Z)-3-amino-N-(2,5-dichloro-4-methylphenyl)-3-hydroxyiminopropanamide
CID 104727903
N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021041
N-(2,5-dichloro-4-methylphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656583
N-(5-bromo-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107025862
N-(4-fluoro-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107025875
N-(2,5-dichloro-4-methylphenyl)-2-propoxyacetamide
CID 103841314
4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide
CID 104727177

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107034934) is N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is Cc1cc(Cl)c(NC(=O)CC2(CS)CC2)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is GPMKIKFCFCXMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NOS/c1-8-4-10(15)11(5-9(8)14)16-12(17)6-13(7-18)2-3-13/h4-5,18H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 304.24 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107034934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).