N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide

C18H17ClN2O4 — CID 71803499

IUPACN'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
SMILESO=C(NCC(O)c1ccc2c(c1)CCO2)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O4/c19-13-3-1-2-4-14(13)21-18(24)17(23)20-10-15(22)11-5-6-16-12(9-11)7-8-25-16/h1-6,9,15,22H,7-8,10H2,(H,20,23)(H,21,24)
InChIKeyIIZSBBRCECKVKN-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.06
Rot. Bonds4

About N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide

N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide (PubChem CID 71803499) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
PubChem CID71803499
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC NameN'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
SMILESO=C(NCC(O)c1ccc2c(c1)CCO2)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O4/c19-13-3-1-2-4-14(13)21-18(24)17(23)20-10-15(22)11-5-6-16-12(9-11)7-8-25-16/h1-6,9,15,22H,7-8,10H2,(H,20,23)(H,21,24)
InChIKeyIIZSBBRCECKVKN-UHFFFAOYSA-N
XLogP2.06
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.06
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'-(3-chloro-4-fluorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 71803503
N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042537
1-benzhydryl-3-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]urea
CID 97105782
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(furan-2-ylmethyl)oxamide
CID 90580925
N'-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97042531
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90580935
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide
CID 90580722
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 90580992
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]cyclobutanecarboxamide
CID 90580681
N'-(2-cyanophenyl)-N-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]oxamide
CID 97414188
N'-(2-chlorophenyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]oxamide
CID 97040699
5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 97042443

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide (CID 71803499) is N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide is O=C(NCC(O)c1ccc2c(c1)CCO2)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide?
The InChIKey is IIZSBBRCECKVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c19-13-3-1-2-4-14(13)21-18(24)17(23)20-10-15(22)11-5-6-16-12(9-11)7-8-25-16/h1-6,9,15,22H,7-8,10H2,(H,20,23)(H,21,24).
What are the key properties of N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide?
N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide has a molecular weight of 360.80 g/mol, XLogP of 2.06, 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-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide is sourced from PubChem (CID 71803499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).