N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide

C13H20ClNO2 — CID 114305810

IUPACN-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC(C)CCCCl)c1C
InChIInChI=1S/C13H20ClNO2/c1-8(6-5-7-14)15-13(16)12-9(2)10(3)17-11(12)4/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyYYXXSPGAGKUDHI-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.34
Rot. Bonds5

About N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide

N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 114305810) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID114305810
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC NameN-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NC(C)CCCCl)c1C
InChIInChI=1S/C13H20ClNO2/c1-8(6-5-7-14)15-13(16)12-9(2)10(3)17-11(12)4/h8H,5-7H2,1-4H3,(H,15,16)
InChIKeyYYXXSPGAGKUDHI-UHFFFAOYSA-N
XLogP3.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.34
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-(1-chloro-3-methylbutan-2-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 114305466
N-(1-amino-4-methylpentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 106356736
N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114305863
N-(5-chloropentan-2-yl)-2,6-difluorobenzamide
CID 114305791
N-(5-chloropentan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114305784
N-(1-aminopentan-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151428
N-(3-chloropropyl)-2,4,5-trimethyl-N-propan-2-ylfuran-3-carboxamide
CID 65152602
N-(1-cyano-2-methylpropyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65153523
4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 43357141
3,5-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305934
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 77057586
2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide
CID 106856137

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide (CID 114305810) is N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)NC(C)CCCCl)c1C.
What is the InChIKey of N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is YYXXSPGAGKUDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-8(6-5-7-14)15-13(16)12-9(2)10(3)17-11(12)4/h8H,5-7H2,1-4H3,(H,15,16).
What are the key properties of N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide?
N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 257.76 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 114305810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).