N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C13H15F2NOS — CID 107025917

IUPACN-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2NOS/c14-10-2-1-9(5-11(10)15)7-16-12(17)6-13(8-18)3-4-13/h1-2,5,18H,3-4,6-8H2,(H,16,17)
InChIKeyRWXOCKRSMYZDPC-UHFFFAOYSA-N
MW271.33 g/mol
LogP2.68
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107025917) has the molecular formula C13H15F2NOS and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107025917
Molecular FormulaC13H15F2NOS
Molecular Weight271.33 g/mol
Exact Mass271.08
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2NOS/c14-10-2-1-9(5-11(10)15)7-16-12(17)6-13(8-18)3-4-13/h1-2,5,18H,3-4,6-8H2,(H,16,17)
InChIKeyRWXOCKRSMYZDPC-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107025917) is N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is O=C(CC1(CS)CC1)NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is RWXOCKRSMYZDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NOS/c14-10-2-1-9(5-11(10)15)7-16-12(17)6-13(8-18)3-4-13/h1-2,5,18H,3-4,6-8H2,(H,16,17).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 271.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107025917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).