N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide

C10H14ClNO2 — CID 17165083

IUPACN-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCCCl)c(C)o1
InChIInChI=1S/C10H14ClNO2/c1-7-6-9(8(2)14-7)10(13)12-5-3-4-11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyAIRZGDROONCSJX-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.26
Rot. Bonds4

About N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide

N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 17165083) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID17165083
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC NameN-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCCCl)c(C)o1
InChIInChI=1S/C10H14ClNO2/c1-7-6-9(8(2)14-7)10(13)12-5-3-4-11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyAIRZGDROONCSJX-UHFFFAOYSA-N
XLogP2.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
N-(4-amino-4-sulfanylidenebutyl)-2,5-dimethylfuran-3-carboxamide
CID 62667359
5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682762
N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 103861683
2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium
CID 7346584
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
N-(5-bromo-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 106157282
N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 78866046
N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 71689766
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N-[2-(2-chloroethyl)pentyl]-2,5-dimethylfuran-3-carboxamide
CID 114145694
N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide
CID 63391531

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide (CID 17165083) is N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCCCl)c(C)o1.
What is the InChIKey of N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is AIRZGDROONCSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7-6-9(8(2)14-7)10(13)12-5-3-4-11/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide?
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 215.68 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 17165083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).