2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide

C11H13ClN2O2 — CID 106684802

IUPAC2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide
SMILESCC(C)N(CCC#N)C(=O)c1ccoc1Cl
InChIInChI=1S/C11H13ClN2O2/c1-8(2)14(6-3-5-13)11(15)9-4-7-16-10(9)12/h4,7-8H,3,6H2,1-2H3
InChIKeyORKMXVADFLQSGZ-UHFFFAOYSA-N
MW240.69 g/mol
LogP2.70
Rot. Bonds4

About 2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide

2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide (PubChem CID 106684802) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide
PubChem CID106684802
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide
SMILESCC(C)N(CCC#N)C(=O)c1ccoc1Cl
InChIInChI=1S/C11H13ClN2O2/c1-8(2)14(6-3-5-13)11(15)9-4-7-16-10(9)12/h4,7-8H,3,6H2,1-2H3
InChIKeyORKMXVADFLQSGZ-UHFFFAOYSA-N
XLogP2.70
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81225108
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 61040490
4-chloro-N-(2-cyanoethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54997017
4-bromo-2-chloro-N-(2-cyanoethyl)-N-propan-2-ylbenzamide
CID 54996542
N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide
CID 106685395
2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide
CID 106685237
N-(2-cyanoethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 54997018
3-chloro-N-(2-cyanoethyl)-5-methyl-N-propan-2-ylbenzamide
CID 81005610
N-(2-cyanoethyl)-N-propan-2-ylquinoxaline-5-carboxamide
CID 104578300
N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 105385760
N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide
CID 103636019
N-(2-cyanoethyl)-2,4-difluoro-5-methyl-N-propan-2-ylbenzamide
CID 112696491

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide (CID 106684802) is 2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide is CC(C)N(CCC#N)C(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide?
The InChIKey is ORKMXVADFLQSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-8(2)14(6-3-5-13)11(15)9-4-7-16-10(9)12/h4,7-8H,3,6H2,1-2H3.
What are the key properties of 2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide?
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 106684802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).