2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide

C13H18ClNO2 — CID 106686861

IUPAC2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide
SMILESCC1CCC(NC(=O)c2ccoc2Cl)C(C)C1
InChIInChI=1S/C13H18ClNO2/c1-8-3-4-11(9(2)7-8)15-13(16)10-5-6-17-12(10)14/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyGHELIODXNBEDTH-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.49
Rot. Bonds2

About 2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide

2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide (PubChem CID 106686861) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide
PubChem CID106686861
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide
SMILESCC1CCC(NC(=O)c2ccoc2Cl)C(C)C1
InChIInChI=1S/C13H18ClNO2/c1-8-3-4-11(9(2)7-8)15-13(16)10-5-6-17-12(10)14/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyGHELIODXNBEDTH-UHFFFAOYSA-N
XLogP3.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2-methylcyclohexyl)furan-3-carboxamide
CID 106685279
2-chloro-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 106685258
2-chloro-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 106687114
5-bromo-2-chloro-N-(2,4-dimethylcyclohexyl)benzamide
CID 63998181
4-chloro-N-(2,4-dimethylcyclohexyl)-2-hydroxybenzamide
CID 63999982
2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide
CID 106687172
2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide
CID 106812109
N-(2,4-dimethylcyclohexyl)-2-methyl-5-sulfanylbenzamide
CID 107030364
N-(2,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 113268698
5-bromo-N-(2,4-dimethylcyclohexyl)-2-fluorobenzamide
CID 63996958
6-[(2,4-dimethylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 63997179
5-amino-N-(2,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 113288605

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide (CID 106686861) is 2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide is CC1CCC(NC(=O)c2ccoc2Cl)C(C)C1.
What is the InChIKey of 2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide?
The InChIKey is GHELIODXNBEDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-8-3-4-11(9(2)7-8)15-13(16)10-5-6-17-12(10)14/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide?
2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide has a molecular weight of 255.74 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide is sourced from PubChem (CID 106686861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).