2-chloro-N-pent-4-ynylfuran-3-carboxamide

C10H10ClNO2 — CID 106812151

IUPAC2-chloro-N-pent-4-ynylfuran-3-carboxamide
SMILESC#CCCCNC(=O)c1ccoc1Cl
InChIInChI=1S/C10H10ClNO2/c1-2-3-4-6-12-10(13)8-5-7-14-9(8)11/h1,5,7H,3-4,6H2,(H,12,13)
InChIKeyOPZKGYURJSCQHE-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.08
Rot. Bonds4

About 2-chloro-N-pent-4-ynylfuran-3-carboxamide

2-chloro-N-pent-4-ynylfuran-3-carboxamide (PubChem CID 106812151) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-chloro-N-pent-4-ynylfuran-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-pent-4-ynylfuran-3-carboxamide
PubChem CID106812151
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name2-chloro-N-pent-4-ynylfuran-3-carboxamide
SMILESC#CCCCNC(=O)c1ccoc1Cl
InChIInChI=1S/C10H10ClNO2/c1-2-3-4-6-12-10(13)8-5-7-14-9(8)11/h1,5,7H,3-4,6H2,(H,12,13)
InChIKeyOPZKGYURJSCQHE-UHFFFAOYSA-N
XLogP2.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide
CID 106812546
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide
CID 106687268
2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide
CID 106687261
2,4-dichloro-N-pent-4-ynylbenzamide
CID 103709106
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
N-pent-4-ynylfuran-2-carboxamide
CID 103708847
2-chloro-3-fluoro-N-pent-4-ynylbenzamide
CID 103708843
2-chloro-N-hex-5-ynyl-5-hydroxybenzamide
CID 106209889
3-amino-2-chloro-N-pent-4-ynylbenzamide
CID 106219785
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide
CID 106686542
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pent-4-ynylfuran-3-carboxamide?
The IUPAC name of 2-chloro-N-pent-4-ynylfuran-3-carboxamide (CID 106812151) is 2-chloro-N-pent-4-ynylfuran-3-carboxamide.
What is the SMILES notation for 2-chloro-N-pent-4-ynylfuran-3-carboxamide?
The canonical SMILES for 2-chloro-N-pent-4-ynylfuran-3-carboxamide is C#CCCCNC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-pent-4-ynylfuran-3-carboxamide?
The InChIKey is OPZKGYURJSCQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-2-3-4-6-12-10(13)8-5-7-14-9(8)11/h1,5,7H,3-4,6H2,(H,12,13).
What are the key properties of 2-chloro-N-pent-4-ynylfuran-3-carboxamide?
2-chloro-N-pent-4-ynylfuran-3-carboxamide has a molecular weight of 211.65 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pent-4-ynylfuran-3-carboxamide is sourced from PubChem (CID 106812151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).