5-chloro-N-(2-chloropropyl)furan-2-carboxamide

C8H9Cl2NO2 — CID 106689974

IUPAC5-chloro-N-(2-chloropropyl)furan-2-carboxamide
SMILESCC(Cl)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C8H9Cl2NO2/c1-5(9)4-11-8(12)6-2-3-7(10)13-6/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyKMIFBUZEJCWEDE-UHFFFAOYSA-N
MW222.07 g/mol
LogP2.29
Rot. Bonds3

About 5-chloro-N-(2-chloropropyl)furan-2-carboxamide

5-chloro-N-(2-chloropropyl)furan-2-carboxamide (PubChem CID 106689974) has the molecular formula C8H9Cl2NO2 and a molecular weight of 222.07 g/mol. Its IUPAC name is 5-chloro-N-(2-chloropropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-chloropropyl)furan-2-carboxamide
PubChem CID106689974
Molecular FormulaC8H9Cl2NO2
Molecular Weight222.07 g/mol
Exact Mass221.00
IUPAC Name5-chloro-N-(2-chloropropyl)furan-2-carboxamide
SMILESCC(Cl)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C8H9Cl2NO2/c1-5(9)4-11-8(12)6-2-3-7(10)13-6/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyKMIFBUZEJCWEDE-UHFFFAOYSA-N
XLogP2.29
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.29
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

N-(2-bromobutyl)-5-chlorofuran-2-carboxamide
CID 106690154
5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 106689982
3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66165991
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide
CID 107260877
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65493090
5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65109429
3-[[(5-chlorofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81065294
5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide
CID 111483845
3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883681
5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide
CID 111480015
5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 86853139
5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888741

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-chloropropyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-chloropropyl)furan-2-carboxamide (CID 106689974) is 5-chloro-N-(2-chloropropyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-chloropropyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-chloropropyl)furan-2-carboxamide is CC(Cl)CNC(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-(2-chloropropyl)furan-2-carboxamide?
The InChIKey is KMIFBUZEJCWEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2/c1-5(9)4-11-8(12)6-2-3-7(10)13-6/h2-3,5H,4H2,1H3,(H,11,12).
What are the key properties of 5-chloro-N-(2-chloropropyl)furan-2-carboxamide?
5-chloro-N-(2-chloropropyl)furan-2-carboxamide has a molecular weight of 222.07 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-chloropropyl)furan-2-carboxamide is sourced from PubChem (CID 106689974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).