5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide

C14H20ClNO3 — CID 51115806

IUPAC5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide
SMILESCC1CCCCC1OCCNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H20ClNO3/c1-10-4-2-3-5-11(10)18-9-8-16-14(17)12-6-7-13(15)19-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyJXIIGWMBXNUCQR-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.26
Rot. Bonds5

About 5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide

5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide (PubChem CID 51115806) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide
PubChem CID51115806
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide
SMILESCC1CCCCC1OCCNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H20ClNO3/c1-10-4-2-3-5-11(10)18-9-8-16-14(17)12-6-7-13(15)19-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyJXIIGWMBXNUCQR-UHFFFAOYSA-N
XLogP3.26
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-nitrofuran-2-carboxamide
CID 94121756
4-bromo-2-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]benzamide
CID 55849532
5-chloro-N-(cyclohexylmethyl)furan-2-carboxamide
CID 35895984
N-[2-(2-methylcyclohexyl)oxyethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47036325
1-methyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726444
1-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-carboxamide
CID 51726445
N-[2-(2-methylcyclohexyl)oxyethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55717357
5-chloro-N-[2-(4-methylcyclohexyl)ethyl]furan-2-carboxamide
CID 106686875
6-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyridine-2-carboxamide
CID 51948701
3-(methoxymethyl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]benzamide
CID 51726082
4-bromo-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-1H-pyrazole-5-carboxamide
CID 95619711
1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide (CID 51115806) is 5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide is CC1CCCCC1OCCNC(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide?
The InChIKey is JXIIGWMBXNUCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-10-4-2-3-5-11(10)18-9-8-16-14(17)12-6-7-13(15)19-12/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide?
5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide has a molecular weight of 285.77 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-methylcyclohexyl)oxyethyl]furan-2-carboxamide is sourced from PubChem (CID 51115806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).