N-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide

C12H18ClNO2 — CID 82108694

IUPACN-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide
SMILESCCN(C(=O)c1ccc(CCl)o1)C(C)(C)C
InChIInChI=1S/C12H18ClNO2/c1-5-14(12(2,3)4)11(15)10-7-6-9(8-13)16-10/h6-7H,5,8H2,1-4H3
InChIKeyLOSHSJWJMIXFJL-UHFFFAOYSA-N
MW243.73 g/mol
LogP3.28
Rot. Bonds3

About N-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide

N-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide (PubChem CID 82108694) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is N-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide
PubChem CID82108694
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC NameN-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide
SMILESCCN(C(=O)c1ccc(CCl)o1)C(C)(C)C
InChIInChI=1S/C12H18ClNO2/c1-5-14(12(2,3)4)11(15)10-7-6-9(8-13)16-10/h6-7H,5,8H2,1-4H3
InChIKeyLOSHSJWJMIXFJL-UHFFFAOYSA-N
XLogP3.28
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 53.28
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

5-(chloromethyl)-N-methyl-N-phenylfuran-2-carboxamide
CID 82109894
5-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 82110625
N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide
CID 79084217
5-[[tert-butyl(ethyl)amino]methyl]furan-2-carbonyl chloride
CID 82041725
5-(bromomethyl)-N,N-diethylfuran-2-carboxamide
CID 134860219
5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 82109245
2-amino-N-tert-butyl-N-ethylbenzamide
CID 15894058
2-[[5-(diethylaminomethyl)furan-2-carbonyl]-methylamino]-2-methylpropanoic acid
CID 62818999
tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid
CID 118692225
N-(2-chloroethyl)-5-ethyl-N-propan-2-ylfuran-2-carboxamide
CID 79084661
N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide
CID 114263891
tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 71995203

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide?
The IUPAC name of N-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide (CID 82108694) is N-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide is CCN(C(=O)c1ccc(CCl)o1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide?
The InChIKey is LOSHSJWJMIXFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-5-14(12(2,3)4)11(15)10-7-6-9(8-13)16-10/h6-7H,5,8H2,1-4H3.
What are the key properties of N-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide?
N-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide has a molecular weight of 243.73 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(chloromethyl)-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 82108694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).