5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide

C12H17Cl2NO2 — CID 106253138

IUPAC5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide
SMILESCCC(CC)(CCl)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C12H17Cl2NO2/c1-3-12(4-2,7-13)8-15-11(16)9-5-6-10(14)17-9/h5-6H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyLMKYMKURNHFJSN-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.71
Rot. Bonds6

About 5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide

5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide (PubChem CID 106253138) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide
PubChem CID106253138
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide
SMILESCCC(CC)(CCl)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C12H17Cl2NO2/c1-3-12(4-2,7-13)8-15-11(16)9-5-6-10(14)17-9/h5-6H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyLMKYMKURNHFJSN-UHFFFAOYSA-N
XLogP3.71
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-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

5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65109429
2-bromo-5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzamide
CID 106254174
5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide
CID 111483845
N-(2-bromobutyl)-5-chlorofuran-2-carboxamide
CID 106690154
5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide
CID 111480015
5-chloro-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606891
N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide
CID 106250802
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide
CID 62659012
5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119508521
3-chloro-N-[2-(chloromethyl)-2-ethylbutyl]thiophene-2-carboxamide
CID 106254396
4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide
CID 106253885

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide (CID 106253138) is 5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide is CCC(CC)(CCl)CNC(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide?
The InChIKey is LMKYMKURNHFJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2/c1-3-12(4-2,7-13)8-15-11(16)9-5-6-10(14)17-9/h5-6H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of 5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide?
5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide has a molecular weight of 278.18 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide is sourced from PubChem (CID 106253138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).