5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide

C17H18ClNO4 — CID 133112296

IUPAC5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide
SMILESCCN(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C17H18ClNO4/c1-2-19(13-9-22-10-14(13)20)17(21)16-8-7-15(23-16)11-5-3-4-6-12(11)18/h3-8,13-14,20H,2,9-10H2,1H3/t13-,14-/m1/s1
InChIKeyRIRWOAYXWSNUPG-ZIAGYGMSSA-N
MW335.79 g/mol
LogP2.82
Rot. Bonds4

About 5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide

5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide (PubChem CID 133112296) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide
PubChem CID133112296
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide
SMILESCCN(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C17H18ClNO4/c1-2-19(13-9-22-10-14(13)20)17(21)16-8-7-15(23-16)11-5-3-4-6-12(11)18/h3-8,13-14,20H,2,9-10H2,1H3/t13-,14-/m1/s1
InChIKeyRIRWOAYXWSNUPG-ZIAGYGMSSA-N
XLogP2.82
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide (CID 133112296) is 5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide is CCN(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@@H]1COC[C@H]1O.
What is the InChIKey of 5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide?
The InChIKey is RIRWOAYXWSNUPG-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-2-19(13-9-22-10-14(13)20)17(21)16-8-7-15(23-16)11-5-3-4-6-12(11)18/h3-8,13-14,20H,2,9-10H2,1H3/t13-,14-/m1/s1.
What are the key properties of 5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide has a molecular weight of 335.79 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-ethyl-N-[(3R,4S)-4-hydroxyoxolan-3-yl]furan-2-carboxamide is sourced from PubChem (CID 133112296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).