5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide

C12H15Cl2NO2 — CID 106133378

IUPAC5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide
SMILESO=C(NCC1CCC(Cl)CC1)c1ccc(Cl)o1
InChIInChI=1S/C12H15Cl2NO2/c13-9-3-1-8(2-4-9)7-15-12(16)10-5-6-11(14)17-10/h5-6,8-9H,1-4,7H2,(H,15,16)
InChIKeyKATHOXPOCYKPQR-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.46
Rot. Bonds3

About 5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide

5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide (PubChem CID 106133378) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide
PubChem CID106133378
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide
SMILESO=C(NCC1CCC(Cl)CC1)c1ccc(Cl)o1
InChIInChI=1S/C12H15Cl2NO2/c13-9-3-1-8(2-4-9)7-15-12(16)10-5-6-11(14)17-10/h5-6,8-9H,1-4,7H2,(H,15,16)
InChIKeyKATHOXPOCYKPQR-UHFFFAOYSA-N
XLogP3.46
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.46
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

5-chloro-N-(cyclohexylmethyl)furan-2-carboxamide
CID 35895984
5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide
CID 107413499
5-chloro-N-[2-(4-methylcyclohexyl)ethyl]furan-2-carboxamide
CID 106686875
5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606885
N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
CID 114147876
N-[3-(4-aminocyclohexyl)oxypropyl]-5-chlorofuran-2-carboxamide
CID 63871144
N-(cyclopropylmethyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 95756198
N-[(4-bromophenyl)methyl]-1-(4-chlorocyclohexyl)methanamine
CID 106123141
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 106133738
N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 106133406
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide (CID 106133378) is 5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide is O=C(NCC1CCC(Cl)CC1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide?
The InChIKey is KATHOXPOCYKPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c13-9-3-1-8(2-4-9)7-15-12(16)10-5-6-11(14)17-10/h5-6,8-9H,1-4,7H2,(H,15,16).
What are the key properties of 5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide?
5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide has a molecular weight of 276.16 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 106133378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).