N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide

C13H18ClNO2 — CID 102872648

IUPACN-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCCl)C2CCC2)c(C)o1
InChIInChI=1S/C13H18ClNO2/c1-9-8-12(10(2)17-9)13(16)15(7-6-14)11-4-3-5-11/h8,11H,3-7H2,1-2H3
InChIKeySWMXTWBCQXUBBB-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.13
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide

N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide (PubChem CID 102872648) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide
PubChem CID102872648
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCCl)C2CCC2)c(C)o1
InChIInChI=1S/C13H18ClNO2/c1-9-8-12(10(2)17-9)13(16)15(7-6-14)11-4-3-5-11/h8,11H,3-7H2,1-2H3
InChIKeySWMXTWBCQXUBBB-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
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,2,5-trimethylfuran-3-carboxamide
CID 63391531
2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 54945910
N-(azetidin-3-yl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 66181383
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide
CID 77038100
N-(2-chloroethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 55187971
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,5-dimethylfuran-3-carboxamide
CID 107491208
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-cyclopropyl-2,5-dimethylfuran-3-carboxamide
CID 7225250
N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide
CID 102872881
N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
CID 102872612
N-ethyl-2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 60807715
N-cyclopropyl-2,5-dimethyl-N-[3-oxo-3-(2-phenylethylamino)propyl]furan-3-carboxamide
CID 5203446
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide (CID 102872648) is N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N(CCCl)C2CCC2)c(C)o1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide?
The InChIKey is SWMXTWBCQXUBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9-8-12(10(2)17-9)13(16)15(7-6-14)11-4-3-5-11/h8,11H,3-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide?
N-(2-chloroethyl)-N-cyclobutyl-2,5-dimethylfuran-3-carboxamide has a molecular weight of 255.74 g/mol, XLogP of 3.13, 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-cyclobutyl-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 102872648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).