5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide

C17H18ClNO5 — CID 154819962

IUPAC5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H18ClNO5/c18-11-4-2-1-3-10(11)13-5-6-14(24-13)17(22)19-12-7-8-23-15(9-20)16(12)21/h1-6,12,15-16,20-21H,7-9H2,(H,19,22)/t12-,15+,16-/m0/s1
InChIKeyCKWBHLPYSQFDLX-MAZHCROVSA-N
MW351.79 g/mol
LogP1.84
Rot. Bonds4

About 5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide (PubChem CID 154819962) has the molecular formula C17H18ClNO5 and a molecular weight of 351.79 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide
PubChem CID154819962
Molecular FormulaC17H18ClNO5
Molecular Weight351.79 g/mol
Exact Mass351.09
IUPAC Name5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide
SMILESO=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H18ClNO5/c18-11-4-2-1-3-10(11)13-5-6-14(24-13)17(22)19-12-7-8-23-15(9-20)16(12)21/h1-6,12,15-16,20-21H,7-9H2,(H,19,22)/t12-,15+,16-/m0/s1
InChIKeyCKWBHLPYSQFDLX-MAZHCROVSA-N
XLogP1.84
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide with MolForge

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Related Compounds

5-(2-chlorophenyl)-N'-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furan-2-carbohydrazide
CID 102144840
5-chloro-2-fluoro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]benzamide
CID 154563568
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide
CID 70786517
5-(2-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]furan-2-carboxamide
CID 46463865
5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 25276463
5-(2-chlorophenyl)-N'-(cyclohexanecarbonyl)furan-2-carbohydrazide
CID 9086350
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-piperidin-1-ylbenzamide
CID 154823860
5-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]furan-2-carboxamide
CID 70748000
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide (CID 154819962) is 5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide is O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide?
The InChIKey is CKWBHLPYSQFDLX-MAZHCROVSA-N. The full InChI is InChI=1S/C17H18ClNO5/c18-11-4-2-1-3-10(11)13-5-6-14(24-13)17(22)19-12-7-8-23-15(9-20)16(12)21/h1-6,12,15-16,20-21H,7-9H2,(H,19,22)/t12-,15+,16-/m0/s1.
What are the key properties of 5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154819962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).