N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide

C10H14ClNO2 — CID 63391531

IUPACN-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCCl)c(C)o1
InChIInChI=1S/C10H14ClNO2/c1-7-6-9(8(2)14-7)10(13)12(3)5-4-11/h6H,4-5H2,1-3H3
InChIKeyLPXGQMXWBYKNKV-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.21
Rot. Bonds3

About N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide

N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide (PubChem CID 63391531) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide
PubChem CID63391531
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC NameN-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(C)CCCl)c(C)o1
InChIInChI=1S/C10H14ClNO2/c1-7-6-9(8(2)14-7)10(13)12(3)5-4-11/h6H,4-5H2,1-3H3
InChIKeyLPXGQMXWBYKNKV-UHFFFAOYSA-N
XLogP2.21
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide
CID 102872648
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,5-dimethylfuran-3-carboxamide
CID 107491208
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083
(2,5-dimethylfuran-3-carbonyl)-methylcarbamic acid;hydrochloride
CID 70634748
N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43549722
N-(2-chloroethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 66156018
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 78798582
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43457798
2,5-dimethyl-N,N-bis(2-methylpropyl)furan-3-carboxamide
CID 86978108
N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide
CID 80666211

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide (CID 63391531) is N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide is Cc1cc(C(=O)N(C)CCCl)c(C)o1.
What is the InChIKey of N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide?
The InChIKey is LPXGQMXWBYKNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-7-6-9(8(2)14-7)10(13)12(3)5-4-11/h6H,4-5H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide?
N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide has a molecular weight of 215.68 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N,2,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 63391531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).