3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide

C12H15Cl2NOS — CID 106366820

IUPAC3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1CCl)c1sccc1Cl
InChIInChI=1S/C12H15Cl2NOS/c13-7-8-3-1-2-4-10(8)15-12(16)11-9(14)5-6-17-11/h5-6,8,10H,1-4,7H2,(H,15,16)
InChIKeyDAYZMSICFKQNHN-UHFFFAOYSA-N
MW292.23 g/mol
LogP3.93
Rot. Bonds3

About 3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide

3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 106366820) has the molecular formula C12H15Cl2NOS and a molecular weight of 292.23 g/mol. Its IUPAC name is 3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
PubChem CID106366820
Molecular FormulaC12H15Cl2NOS
Molecular Weight292.23 g/mol
Exact Mass291.03
IUPAC Name3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCCC1CCl)c1sccc1Cl
InChIInChI=1S/C12H15Cl2NOS/c13-7-8-3-1-2-4-10(8)15-12(16)11-9(14)5-6-17-11/h5-6,8,10H,1-4,7H2,(H,15,16)
InChIKeyDAYZMSICFKQNHN-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 53.93
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-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 106366771
3-chloro-N-[2-[(E)-N'-hydroxycarbamimidoyl]cyclopentyl]thiophene-2-carboxamide
CID 80642399
3-chloro-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]thiophene-2-carboxamide
CID 122571729
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
3-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 154907992
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-3-chlorothiophene-2-carboxamide
CID 122565327
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide
CID 106366310
N-[(2-bromocyclopentyl)methyl]-3-chlorothiophene-2-carboxamide
CID 114313867
3-chloro-N-cyclopentyloxythiophene-2-carboxamide
CID 83235964

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide (CID 106366820) is 3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide is O=C(NC1CCCCC1CCl)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is DAYZMSICFKQNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NOS/c13-7-8-3-1-2-4-10(8)15-12(16)11-9(14)5-6-17-11/h5-6,8,10H,1-4,7H2,(H,15,16).
What are the key properties of 3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide?
3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 292.23 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 106366820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).