N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide

C17H17ClN2O4 — CID 95982418

IUPACN'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide
SMILESO=C(NC[C@](O)(c1ccco1)C1CC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H17ClN2O4/c18-12-4-1-2-5-13(12)20-16(22)15(21)19-10-17(23,11-7-8-11)14-6-3-9-24-14/h1-6,9,11,23H,7-8,10H2,(H,19,21)(H,20,22)/t17-/m1/s1
InChIKeyWPQWFCFUUJGGCO-QGZVFWFLSA-N
MW348.79 g/mol
LogP2.29
Rot. Bonds5

About N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide

N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide (PubChem CID 95982418) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide
PubChem CID95982418
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC NameN'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide
SMILESO=C(NC[C@](O)(c1ccco1)C1CC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H17ClN2O4/c18-12-4-1-2-5-13(12)20-16(22)15(21)19-10-17(23,11-7-8-11)14-6-3-9-24-14/h1-6,9,11,23H,7-8,10H2,(H,19,21)(H,20,22)/t17-/m1/s1
InChIKeyWPQWFCFUUJGGCO-QGZVFWFLSA-N
XLogP2.29
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-fluorophenyl)oxamide
CID 121085578
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 95982419
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 71781539
N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 71781543
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methoxyphenyl)urea
CID 121085638
1-(2-chlorophenyl)-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]methanesulfonamide
CID 71781530
1-(2-chlorophenyl)-3-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]urea
CID 95379625
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide
CID 121085621
4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085441
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide
CID 95982342
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121085486
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea
CID 121085634

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide (CID 95982418) is N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide is O=C(NC[C@](O)(c1ccco1)C1CC1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide?
The InChIKey is WPQWFCFUUJGGCO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c18-12-4-1-2-5-13(12)20-16(22)15(21)19-10-17(23,11-7-8-11)14-6-3-9-24-14/h1-6,9,11,23H,7-8,10H2,(H,19,21)(H,20,22)/t17-/m1/s1.
What are the key properties of N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide?
N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide has a molecular weight of 348.79 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide is sourced from PubChem (CID 95982418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).