N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide

C12H15BrClNOS — CID 103406064

IUPACN-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC2(CBr)CCCC2)c1Cl
InChIInChI=1S/C12H15BrClNOS/c1-8-6-17-10(9(8)14)11(16)15-12(7-13)4-2-3-5-12/h6H,2-5,7H2,1H3,(H,15,16)
InChIKeyBRUAUXICJIOTBL-UHFFFAOYSA-N
MW336.68 g/mol
LogP4.15
Rot. Bonds3

About N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide

N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 103406064) has the molecular formula C12H15BrClNOS and a molecular weight of 336.68 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID103406064
Molecular FormulaC12H15BrClNOS
Molecular Weight336.68 g/mol
Exact Mass334.97
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC2(CBr)CCCC2)c1Cl
InChIInChI=1S/C12H15BrClNOS/c1-8-6-17-10(9(8)14)11(16)15-12(7-13)4-2-3-5-12/h6H,2-5,7H2,1H3,(H,15,16)
InChIKeyBRUAUXICJIOTBL-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[1-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
CID 103403125
3-chloro-N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]-4-methylthiophene-2-carboxamide
CID 103404973
N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 114311521
N-[1-(bromomethyl)cyclopentyl]-5-chloro-2-methylbenzamide
CID 82890509
3-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-carboxamide
CID 114311405
N-[1-(bromomethyl)cyclopentyl]-4-chlorobenzamide
CID 114311465
N-[1-(bromomethyl)cyclohexyl]-2,4,6-trimethylbenzamide
CID 114314026
N-(4-bromobutyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 106846016
N-[4-(bromomethyl)oxan-4-yl]-3-chlorothiophene-2-carboxamide
CID 106304812
N-[1-(bromomethyl)cyclopentyl]-2,4-dimethylbenzamide
CID 114311355
N-[1-(bromomethyl)cyclopentyl]-2-methyl-4-nitrobenzamide
CID 114311554
N-[1-(bromomethyl)cyclohexyl]-1-benzothiophene-3-carboxamide
CID 114314247

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide (CID 103406064) is N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NC2(CBr)CCCC2)c1Cl.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is BRUAUXICJIOTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNOS/c1-8-6-17-10(9(8)14)11(16)15-12(7-13)4-2-3-5-12/h6H,2-5,7H2,1H3,(H,15,16).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide?
N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 336.68 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103406064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).