N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide

C13H17BrClNOS — CID 80659701

IUPACN-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide
SMILESO=C(c1sccc1Cl)N(CCBr)C1CCCCC1
InChIInChI=1S/C13H17BrClNOS/c14-7-8-16(10-4-2-1-3-5-10)13(17)12-11(15)6-9-18-12/h6,9-10H,1-5,7-8H2
InChIKeyRWAJISZNCHTXBZ-UHFFFAOYSA-N
MW350.71 g/mol
LogP4.57
Rot. Bonds4

About N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide

N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide (PubChem CID 80659701) has the molecular formula C13H17BrClNOS and a molecular weight of 350.71 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide
PubChem CID80659701
Molecular FormulaC13H17BrClNOS
Molecular Weight350.71 g/mol
Exact Mass348.99
IUPAC NameN-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide
SMILESO=C(c1sccc1Cl)N(CCBr)C1CCCCC1
InChIInChI=1S/C13H17BrClNOS/c14-7-8-16(10-4-2-1-3-5-10)13(17)12-11(15)6-9-18-12/h6,9-10H,1-5,7-8H2
InChIKeyRWAJISZNCHTXBZ-UHFFFAOYSA-N
XLogP4.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.71
LogP ≤ 54.57
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

3-chloro-N-(2-chloroethyl)-N-cyclobutylthiophene-2-carboxamide
CID 102872856
3-chloro-N-(2-chloroethyl)-N-cyclopropylthiophene-2-carboxamide
CID 80641189
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide
CID 103405905
N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide
CID 81129770
N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide
CID 80658796
N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
CID 114021798
3-chloro-N-piperidin-4-yl-N-propylthiophene-2-carboxamide
CID 80642602
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide
CID 106689912
N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide
CID 102872297
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-fluorobenzamide
CID 82878746
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-2-methylbenzamide
CID 107100035

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide (CID 80659701) is N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide is O=C(c1sccc1Cl)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide?
The InChIKey is RWAJISZNCHTXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNOS/c14-7-8-16(10-4-2-1-3-5-10)13(17)12-11(15)6-9-18-12/h6,9-10H,1-5,7-8H2.
What are the key properties of N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide?
N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide has a molecular weight of 350.71 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide is sourced from PubChem (CID 80659701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).