2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide

C9H6ClN3O2 — CID 106685237

IUPAC2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide
SMILESN#CCN(CC#N)C(=O)c1ccoc1Cl
InChIInChI=1S/C9H6ClN3O2/c10-8-7(1-6-15-8)9(14)13(4-2-11)5-3-12/h1,6H,4-5H2
InChIKeyXIWZLHDHPMGWFY-UHFFFAOYSA-N
MW223.62 g/mol
LogP1.42
Rot. Bonds3

About 2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide

2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide (PubChem CID 106685237) has the molecular formula C9H6ClN3O2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide
PubChem CID106685237
Molecular FormulaC9H6ClN3O2
Molecular Weight223.62 g/mol
Exact Mass223.01
IUPAC Name2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide
SMILESN#CCN(CC#N)C(=O)c1ccoc1Cl
InChIInChI=1S/C9H6ClN3O2/c10-8-7(1-6-15-8)9(14)13(4-2-11)5-3-12/h1,6H,4-5H2
InChIKeyXIWZLHDHPMGWFY-UHFFFAOYSA-N
XLogP1.42
TPSA81.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-ethyl-N-methylfuran-3-carboxamide
CID 106685381
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106684802
3-amino-2-chloro-N,N-bis(cyanomethyl)benzamide
CID 112574281
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide
CID 106685319
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686648
3,4-dichloro-N,N-bis(cyanomethyl)benzamide
CID 5018129
4-chloro-N,N-bis(cyanomethyl)benzamide
CID 728640
2-chloro-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 107492176
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide
CID 106852142
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-N-ethylfuran-3-carboxamide
CID 106684907

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide (CID 106685237) is 2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide is N#CCN(CC#N)C(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide?
The InChIKey is XIWZLHDHPMGWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2/c10-8-7(1-6-15-8)9(14)13(4-2-11)5-3-12/h1,6H,4-5H2.
What are the key properties of 2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide?
2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide has a molecular weight of 223.62 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide is sourced from PubChem (CID 106685237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).