N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide

C14H20ClNO2 — CID 79084217

IUPACN-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCCl)C2CCCC2)o1
InChIInChI=1S/C14H20ClNO2/c1-2-12-7-8-13(18-12)14(17)16(10-9-15)11-5-3-4-6-11/h7-8,11H,2-6,9-10H2,1H3
InChIKeyZAVLUDRABITWHY-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.47
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide

N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide (PubChem CID 79084217) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide
PubChem CID79084217
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCCl)C2CCCC2)o1
InChIInChI=1S/C14H20ClNO2/c1-2-12-7-8-13(18-12)14(17)16(10-9-15)11-5-3-4-6-11/h7-8,11H,2-6,9-10H2,1H3
InChIKeyZAVLUDRABITWHY-UHFFFAOYSA-N
XLogP3.47
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.47
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-cyclobutyl-5-ethylfuran-2-carboxamide
CID 102873797
N-(2-chloroethyl)-5-ethyl-N-propan-2-ylfuran-2-carboxamide
CID 79084661
2-[(5-ethylfuran-2-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 119211315
N-(2-chloroethyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide
CID 102872638
N-benzyl-N-(2-chloroethyl)-5-ethylfuran-2-carboxamide
CID 79084049
N-cyclopropyl-5-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79721164
5-ethyl-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 97051830
N-cyclobutyl-N-(2-hydroxyethyl)-5-methylfuran-2-carboxamide
CID 102684491
5-bromo-N-cyclopentyl-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 61343308
5-ethyl-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 79094742
N-(3-chloropropyl)-N-cyclobutyl-5-nitrofuran-2-carboxamide
CID 102871926
N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 55187971

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide (CID 79084217) is N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)N(CCCl)C2CCCC2)o1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide?
The InChIKey is ZAVLUDRABITWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-12-7-8-13(18-12)14(17)16(10-9-15)11-5-3-4-6-11/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide?
N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide has a molecular weight of 269.77 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentyl-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 79084217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).