N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide

C13H18ClNO2 — CID 55187971

IUPACN-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C13H18ClNO2/c1-10-12(6-9-17-10)13(16)15(8-7-14)11-4-2-3-5-11/h6,9,11H,2-5,7-8H2,1H3
InChIKeySJCCRWDDQKQITL-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.21
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide

N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide (PubChem CID 55187971) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
PubChem CID55187971
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C13H18ClNO2/c1-10-12(6-9-17-10)13(16)15(8-7-14)11-4-2-3-5-11/h6,9,11H,2-5,7-8H2,1H3
InChIKeySJCCRWDDQKQITL-UHFFFAOYSA-N
XLogP3.21
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.21
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-cyclopentyl-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 52574458
N-(2-chloroethyl)-N-cyclohexyl-3-methylfuran-2-carboxamide
CID 63391893
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866
3-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 119212251
N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
CID 816497
2-[(2-methylfuran-3-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 154740702
N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide
CID 102872648
N-(2-bromoethyl)-2-chloro-N-cyclopentylfuran-3-carboxamide
CID 106689910
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726
N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide
CID 106689912
N-(4-aminocyclohexyl)-N-ethyl-2-methylfuran-3-carboxamide
CID 79115766
ethyl 2-[cyclopropyl-(2-methylfuran-3-carbonyl)amino]acetate
CID 54983961

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide (CID 55187971) is N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide?
The InChIKey is SJCCRWDDQKQITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10-12(6-9-17-10)13(16)15(8-7-14)11-4-2-3-5-11/h6,9,11H,2-5,7-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide?
N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide has a molecular weight of 255.74 g/mol, XLogP of 3.21, 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-cyclopentyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55187971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).