N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C12H14BrNOS — CID 107021041

IUPACN-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)Nc1ccccc1Br
InChIInChI=1S/C12H14BrNOS/c13-9-3-1-2-4-10(9)14-11(15)7-12(8-16)5-6-12/h1-4,16H,5-8H2,(H,14,15)
InChIKeyZZSBESIMUDZMSC-UHFFFAOYSA-N
MW300.22 g/mol
LogP3.49
Rot. Bonds4

About N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 107021041) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID107021041
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC NameN-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)Nc1ccccc1Br
InChIInChI=1S/C12H14BrNOS/c13-9-3-1-2-4-10(9)14-11(15)7-12(8-16)5-6-12/h1-4,16H,5-8H2,(H,14,15)
InChIKeyZZSBESIMUDZMSC-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 53.49
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

N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(3-bromo-4-fluorophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107034985
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107020639
N-(4-bromo-5-fluoro-2-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107036112
N-(5-bromo-2-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107025862
4-(2-bromoanilino)-4-oxobutanoate
CID 6935665
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789
N-(2-bromophenyl)butanamide
CID 732405
N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305227
5-(2-bromoanilino)-5-oxopentanoate
CID 6939173
N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107034934

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 107021041) is N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is O=C(CC1(CS)CC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is ZZSBESIMUDZMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c13-9-3-1-2-4-10(9)14-11(15)7-12(8-16)5-6-12/h1-4,16H,5-8H2,(H,14,15).
What are the key properties of N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 300.22 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 107021041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).