2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide

C15H11ClFNO3 — CID 106688742

IUPAC2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C#CCCO)c1)c1ccoc1Cl
InChIInChI=1S/C15H11ClFNO3/c16-14-12(6-8-21-14)15(20)18-11-4-5-13(17)10(9-11)3-1-2-7-19/h4-6,8-9,19H,2,7H2,(H,18,20)
InChIKeyODEXZPWCIHFOPM-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.06
Rot. Bonds3

About 2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide

2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide (PubChem CID 106688742) has the molecular formula C15H11ClFNO3 and a molecular weight of 307.71 g/mol. Its IUPAC name is 2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
PubChem CID106688742
Molecular FormulaC15H11ClFNO3
Molecular Weight307.71 g/mol
Exact Mass307.04
IUPAC Name2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(F)c(C#CCCO)c1)c1ccoc1Cl
InChIInChI=1S/C15H11ClFNO3/c16-14-12(6-8-21-14)15(20)18-11-4-5-13(17)10(9-11)3-1-2-7-19/h4-6,8-9,19H,2,7H2,(H,18,20)
InChIKeyODEXZPWCIHFOPM-UHFFFAOYSA-N
XLogP3.06
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 106688725
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]pyrimidine-5-carboxamide
CID 102922448
2-chloro-N-(4-fluoro-3-methylphenyl)furan-3-carboxamide
CID 106686753
methyl N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]carbamate
CID 104780900
2-chloro-N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 106688723
2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide
CID 106687096
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide
CID 104780644
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide
CID 104780641
5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 104780484
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 65435087
2-chloro-N-(4-chloro-2-fluorophenyl)furan-3-carboxamide
CID 106685654
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 104780566

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide (CID 106688742) is 2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide is O=C(Nc1ccc(F)c(C#CCCO)c1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide?
The InChIKey is ODEXZPWCIHFOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO3/c16-14-12(6-8-21-14)15(20)18-11-4-5-13(17)10(9-11)3-1-2-7-19/h4-6,8-9,19H,2,7H2,(H,18,20).
What are the key properties of 2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide?
2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide has a molecular weight of 307.71 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106688742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).