N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide

C10H14ClNO2 — CID 63395497

IUPACN-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide
SMILESCCN(CCCl)C(=O)c1ccc(C)o1
InChIInChI=1S/C10H14ClNO2/c1-3-12(7-6-11)10(13)9-5-4-8(2)14-9/h4-5H,3,6-7H2,1-2H3
InChIKeyIMMJKPQNDKZHSK-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.29
Rot. Bonds4

About N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide

N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide (PubChem CID 63395497) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide
PubChem CID63395497
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC NameN-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide
SMILESCCN(CCCl)C(=O)c1ccc(C)o1
InChIInChI=1S/C10H14ClNO2/c1-3-12(7-6-11)10(13)9-5-4-8(2)14-9/h4-5H,3,6-7H2,1-2H3
InChIKeyIMMJKPQNDKZHSK-UHFFFAOYSA-N
XLogP2.29
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.29
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-(3-aminopropyl)-N-ethyl-5-methylfuran-2-carboxamide
CID 43136432
5-methyl-N,N-dipentylfuran-2-carboxamide
CID 3319656
5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 112771490
N-[2-(2-chloroethoxy)ethyl]-N,5-diethylfuran-2-carboxamide
CID 114263891
N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide
CID 43459468
3-chloro-1-(5-methylfuran-2-yl)propan-1-one
CID 116917885
N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide
CID 79084049
5-bromo-N-(2-bromoethyl)-N-ethylfuran-2-carboxamide
CID 80660635
N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide
CID 63395129
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide
CID 107493288
N-(2-chloroethyl)-N-ethylpyridine-4-carboxamide
CID 63395039
N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide
CID 63395634

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide (CID 63395497) is N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide is CCN(CCCl)C(=O)c1ccc(C)o1.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide?
The InChIKey is IMMJKPQNDKZHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-3-12(7-6-11)10(13)9-5-4-8(2)14-9/h4-5H,3,6-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide?
N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide has a molecular weight of 215.68 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide is sourced from PubChem (CID 63395497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).