N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide

C12H14BrCl2NOS — CID 114021798

IUPACN-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
SMILESO=C(c1cc(Cl)sc1Cl)N(CCBr)C1CCCC1
InChIInChI=1S/C12H14BrCl2NOS/c13-5-6-16(8-3-1-2-4-8)12(17)9-7-10(14)18-11(9)15/h7-8H,1-6H2
InChIKeyDVTGXOPOBIJHPE-UHFFFAOYSA-N
MW371.13 g/mol
LogP4.83
Rot. Bonds4

About N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide

N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide (PubChem CID 114021798) has the molecular formula C12H14BrCl2NOS and a molecular weight of 371.13 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
PubChem CID114021798
Molecular FormulaC12H14BrCl2NOS
Molecular Weight371.13 g/mol
Exact Mass368.94
IUPAC NameN-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
SMILESO=C(c1cc(Cl)sc1Cl)N(CCBr)C1CCCC1
InChIInChI=1S/C12H14BrCl2NOS/c13-5-6-16(8-3-1-2-4-8)12(17)9-7-10(14)18-11(9)15/h7-8H,1-6H2
InChIKeyDVTGXOPOBIJHPE-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.13
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
CID 107961828
N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide
CID 106689910
N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide
CID 106689912
N-(2-bromoethyl)-4-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 80658498
N-(3-amino-3-sulfanylidenepropyl)-2,5-dichloro-N-cyclopropylthiophene-3-carboxamide
CID 107961735
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide
CID 80659701
2,5-dichloro-N-piperidin-4-yl-N-propylthiophene-3-carboxamide;hydrochloride
CID 119824416
N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
CID 80659305
2,5-dichloro-N-propyl-N-pyrrolidin-3-ylthiophene-3-carboxamide
CID 103806544
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide
CID 80658796

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide (CID 114021798) is N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide is O=C(c1cc(Cl)sc1Cl)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide?
The InChIKey is DVTGXOPOBIJHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NOS/c13-5-6-16(8-3-1-2-4-8)12(17)9-7-10(14)18-11(9)15/h7-8H,1-6H2.
What are the key properties of N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide?
N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide has a molecular weight of 371.13 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide is sourced from PubChem (CID 114021798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).