5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide

C14H9Cl2NO3 — CID 81263366

IUPAC5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1C#CCO)c1ccc(Cl)o1
InChIInChI=1S/C14H9Cl2NO3/c15-10-4-3-9(2-1-7-18)11(8-10)17-14(19)12-5-6-13(16)20-12/h3-6,8,18H,7H2,(H,17,19)
InChIKeyKHYSXHDAJJZHNS-UHFFFAOYSA-N
MW310.14 g/mol
LogP3.18
Rot. Bonds2

About 5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide

5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide (PubChem CID 81263366) has the molecular formula C14H9Cl2NO3 and a molecular weight of 310.14 g/mol. Its IUPAC name is 5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
PubChem CID81263366
Molecular FormulaC14H9Cl2NO3
Molecular Weight310.14 g/mol
Exact Mass309.00
IUPAC Name5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1C#CCO)c1ccc(Cl)o1
InChIInChI=1S/C14H9Cl2NO3/c15-10-4-3-9(2-1-7-18)11(8-10)17-14(19)12-5-6-13(16)20-12/h3-6,8,18H,7H2,(H,17,19)
InChIKeyKHYSXHDAJJZHNS-UHFFFAOYSA-N
XLogP3.18
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 53.18
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

5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 104780484
5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
CID 60802446
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-4-hydroxybenzamide
CID 81269110
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-5-methylfuran-2-carboxamide
CID 82766349
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrrole-2-carboxamide
CID 81268033
N-(2-carbamothioyl-5-chlorophenyl)-5-chlorofuran-2-carboxamide
CID 106684980
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclohexane-1-carboxamide
CID 106828211
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylimidazole-4-carboxamide
CID 103511804
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxythiophene-2-carboxamide
CID 81270159
4-chloro-N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]benzamide
CID 81260265
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 81270405
N-[2-(3-aminoprop-1-ynyl)-5-chlorophenyl]-2,5-dimethylfuran-3-carboxamide
CID 81269162

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide (CID 81263366) is 5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide is O=C(Nc1cc(Cl)ccc1C#CCO)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
The InChIKey is KHYSXHDAJJZHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO3/c15-10-4-3-9(2-1-7-18)11(8-10)17-14(19)12-5-6-13(16)20-12/h3-6,8,18H,7H2,(H,17,19).
What are the key properties of 5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide has a molecular weight of 310.14 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 81263366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).