5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide

C13H11ClFNO3 — CID 110888741

IUPAC5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1ccc(Cl)o1
InChIInChI=1S/C13H11ClFNO3/c14-12-6-5-11(19-12)13(18)16-7-10(17)8-1-3-9(15)4-2-8/h1-6,10,17H,7H2,(H,16,18)
InChIKeySZETWRTYURALLL-UHFFFAOYSA-N
MW283.69 g/mol
LogP2.54
Rot. Bonds4

About 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide

5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide (PubChem CID 110888741) has the molecular formula C13H11ClFNO3 and a molecular weight of 283.69 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
PubChem CID110888741
Molecular FormulaC13H11ClFNO3
Molecular Weight283.69 g/mol
Exact Mass283.04
IUPAC Name5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)c1ccc(Cl)o1
InChIInChI=1S/C13H11ClFNO3/c14-12-6-5-11(19-12)13(18)16-7-10(17)8-1-3-9(15)4-2-8/h1-6,10,17H,7H2,(H,16,18)
InChIKeySZETWRTYURALLL-UHFFFAOYSA-N
XLogP2.54
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 111566061
3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66165991
5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 111425569
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide
CID 107260877
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279886
N-(2-bromobutyl)-5-chlorofuran-2-carboxamide
CID 106690154
3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883681
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
CID 110888923
2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862
N-[2-(4-fluorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 86980947
N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 38535028

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide (CID 110888741) is 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide is O=C(NCC(O)c1ccc(F)cc1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide?
The InChIKey is SZETWRTYURALLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3/c14-12-6-5-11(19-12)13(18)16-7-10(17)8-1-3-9(15)4-2-8/h1-6,10,17H,7H2,(H,16,18).
What are the key properties of 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide?
5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide has a molecular weight of 283.69 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide is sourced from PubChem (CID 110888741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).