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

C14H9ClFNO3 — CID 104780484

IUPAC5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(F)c(C#CCO)c1)c1ccc(Cl)o1
InChIInChI=1S/C14H9ClFNO3/c15-13-6-5-12(20-13)14(19)17-10-3-4-11(16)9(8-10)2-1-7-18/h3-6,8,18H,7H2,(H,17,19)
InChIKeyUAVCFCGVQBUSOJ-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.67
Rot. Bonds2

About 5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide

5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide (PubChem CID 104780484) has the molecular formula C14H9ClFNO3 and a molecular weight of 293.68 g/mol. Its IUPAC name is 5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
PubChem CID104780484
Molecular FormulaC14H9ClFNO3
Molecular Weight293.68 g/mol
Exact Mass293.03
IUPAC Name5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(F)c(C#CCO)c1)c1ccc(Cl)o1
InChIInChI=1S/C14H9ClFNO3/c15-13-6-5-12(20-13)14(19)17-10-3-4-11(16)9(8-10)2-1-7-18/h3-6,8,18H,7H2,(H,17,19)
InChIKeyUAVCFCGVQBUSOJ-UHFFFAOYSA-N
XLogP2.67
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 81263366
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 104780566
5-ethyl-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]thiophene-2-carboxamide
CID 104780467
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102802094
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide
CID 104780549
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 104780561
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanecarboxamide
CID 104780520
ethyl N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 104780921
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cycloheptanecarboxamide
CID 104780496
5-chloro-N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]furan-2-carboxamide
CID 60802446
2-chloro-N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]furan-3-carboxamide
CID 106688742
N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 106690051

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide (CID 104780484) is 5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(F)c(C#CCO)c1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
The InChIKey is UAVCFCGVQBUSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO3/c15-13-6-5-12(20-13)14(19)17-10-3-4-11(16)9(8-10)2-1-7-18/h3-6,8,18H,7H2,(H,17,19).
What are the key properties of 5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide?
5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide has a molecular weight of 293.68 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 104780484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).