2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide

C13H17Cl2NO2 — CID 106690116

IUPAC2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide
SMILESO=C(NCC1(CCl)CCCCC1)c1ccoc1Cl
InChIInChI=1S/C13H17Cl2NO2/c14-8-13(5-2-1-3-6-13)9-16-12(17)10-4-7-18-11(10)15/h4,7H,1-3,5-6,8-9H2,(H,16,17)
InChIKeyHIESGXNUSLOWMN-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.85
Rot. Bonds4

About 2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide

2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide (PubChem CID 106690116) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide
PubChem CID106690116
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide
SMILESO=C(NCC1(CCl)CCCCC1)c1ccoc1Cl
InChIInChI=1S/C13H17Cl2NO2/c14-8-13(5-2-1-3-6-13)9-16-12(17)10-4-7-18-11(10)15/h4,7H,1-3,5-6,8-9H2,(H,16,17)
InChIKeyHIESGXNUSLOWMN-UHFFFAOYSA-N
XLogP3.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.85
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

2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106687086
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorofuran-3-carboxamide
CID 106690207
2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide
CID 106686929
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359928
2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide
CID 106812376
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3,4-trifluorobenzamide
CID 103969519
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359945
5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 113359954
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide
CID 113359929
3,4-dichloro-N-[[1-(chloromethyl)cyclopentyl]methyl]benzamide
CID 115363928
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylfuran-3-carboxamide
CID 115362271

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide (CID 106690116) is 2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide is O=C(NCC1(CCl)CCCCC1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide?
The InChIKey is HIESGXNUSLOWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c14-8-13(5-2-1-3-6-13)9-16-12(17)10-4-7-18-11(10)15/h4,7H,1-3,5-6,8-9H2,(H,16,17).
What are the key properties of 2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide?
2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide has a molecular weight of 290.19 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 106690116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).