5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide

C9H9ClN2O2 — CID 51075676

IUPAC5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide
SMILESCN(CCC#N)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H9ClN2O2/c1-12(6-2-5-11)9(13)7-3-4-8(10)14-7/h3-4H,2,6H2,1H3
InChIKeyQMBJFTYMIPMKQB-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.92
Rot. Bonds3

About 5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide

5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide (PubChem CID 51075676) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide
PubChem CID51075676
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide
SMILESCN(CCC#N)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H9ClN2O2/c1-12(6-2-5-11)9(13)7-3-4-8(10)14-7/h3-4H,2,6H2,1H3
InChIKeyQMBJFTYMIPMKQB-UHFFFAOYSA-N
XLogP1.92
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide
CID 28780453
N-(2-cyanoethyl)-5-ethyl-N-methylfuran-2-carboxamide
CID 112726763
5-chloro-N-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide
CID 103747395
5-chloro-N-methyl-N-(2-phenylethyl)furan-2-carboxamide
CID 103612110
5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide
CID 107199927
2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid
CID 28790003
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 78796865
2-chloro-N-(2-cyanoethyl)-N-methyl-5-sulfanylbenzamide
CID 107021427
2-bromo-N-(2-cyanoethyl)-N,5-dimethylbenzamide
CID 80977004
5-[2-cyanoethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607071

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide (CID 51075676) is 5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide is CN(CCC#N)C(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide?
The InChIKey is QMBJFTYMIPMKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-12(6-2-5-11)9(13)7-3-4-8(10)14-7/h3-4H,2,6H2,1H3.
What are the key properties of 5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide?
5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide has a molecular weight of 212.64 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 51075676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).