5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide

C9H11Cl2NO3 — CID 106689982

IUPAC5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
SMILESCOCC(Cl)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H11Cl2NO3/c1-14-5-6(10)4-12-9(13)7-2-3-8(11)15-7/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyOAZXGXMFKQSVSO-UHFFFAOYSA-N
MW252.10 g/mol
LogP1.92
Rot. Bonds5

About 5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide

5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide (PubChem CID 106689982) has the molecular formula C9H11Cl2NO3 and a molecular weight of 252.10 g/mol. Its IUPAC name is 5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
PubChem CID106689982
Molecular FormulaC9H11Cl2NO3
Molecular Weight252.10 g/mol
Exact Mass251.01
IUPAC Name5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
SMILESCOCC(Cl)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H11Cl2NO3/c1-14-5-6(10)4-12-9(13)7-2-3-8(11)15-7/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyOAZXGXMFKQSVSO-UHFFFAOYSA-N
XLogP1.92
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.10
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(2-chloro-3-methoxypropyl)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-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 114298680
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
CID 113271992
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
N-(2-bromobutyl)-5-chlorofuran-2-carboxamide
CID 106690154
3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66165991
N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide
CID 114298846
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide
CID 107260877
5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide
CID 47431973
2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298631
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81065294
5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
CID 114298739

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide (CID 106689982) is 5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide is COCC(Cl)CNC(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide?
The InChIKey is OAZXGXMFKQSVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO3/c1-14-5-6(10)4-12-9(13)7-2-3-8(11)15-7/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide?
5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide has a molecular weight of 252.10 g/mol, XLogP of 1.92, 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-chloro-3-methoxypropyl)furan-2-carboxamide is sourced from PubChem (CID 106689982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).