N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide

C14H13ClN2O4 — CID 97040699

IUPACN'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
SMILESO=C(NC[C@H](O)c1ccoc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H13ClN2O4/c15-10-3-1-2-4-11(10)17-14(20)13(19)16-7-12(18)9-5-6-21-8-9/h1-6,8,12,18H,7H2,(H,16,19)(H,17,20)/t12-/m0/s1
InChIKeyNVVGSODOAIUVNN-LBPRGKRZSA-N
MW308.72 g/mol
LogP1.72
Rot. Bonds4

About N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide

N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide (PubChem CID 97040699) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
PubChem CID97040699
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC NameN'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
SMILESO=C(NC[C@H](O)c1ccoc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H13ClN2O4/c15-10-3-1-2-4-11(10)17-14(20)13(19)16-7-12(18)9-5-6-21-8-9/h1-6,8,12,18H,7H2,(H,16,19)(H,17,20)/t12-/m0/s1
InChIKeyNVVGSODOAIUVNN-LBPRGKRZSA-N
XLogP1.72
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 51.72
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-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 56765505
N'-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 95368316
N'-(2-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]oxamide
CID 110893726
N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 71803499
1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798424
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 95986774
2-chloro-6-fluoro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]benzamide
CID 95986600
N'-cyclopropyl-N-[2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 71798378
N'-[2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 71798386
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
N'-cyclopentyl-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 95986740
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 95986776

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide (CID 97040699) is N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide is O=C(NC[C@H](O)c1ccoc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide?
The InChIKey is NVVGSODOAIUVNN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c15-10-3-1-2-4-11(10)17-14(20)13(19)16-7-12(18)9-5-6-21-8-9/h1-6,8,12,18H,7H2,(H,16,19)(H,17,20)/t12-/m0/s1.
What are the key properties of N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide?
N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide has a molecular weight of 308.72 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide is sourced from PubChem (CID 97040699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).