N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide

C16H17ClN2O4 — CID 71787751

IUPACN'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCC(O)c2ccco2)cc1Cl
InChIInChI=1S/C16H17ClN2O4/c1-10-4-5-11(9-12(10)17)19-16(22)15(21)18-7-6-13(20)14-3-2-8-23-14/h2-5,8-9,13,20H,6-7H2,1H3,(H,18,21)(H,19,22)
InChIKeyITAJVJRXWKEAAW-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.42
Rot. Bonds5

About N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide

N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide (PubChem CID 71787751) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
PubChem CID71787751
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCC(O)c2ccco2)cc1Cl
InChIInChI=1S/C16H17ClN2O4/c1-10-4-5-11(9-12(10)17)19-16(22)15(21)18-7-6-13(20)14-3-2-8-23-14/h2-5,8-9,13,20H,6-7H2,1H3,(H,18,21)(H,19,22)
InChIKeyITAJVJRXWKEAAW-UHFFFAOYSA-N
XLogP2.42
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.42
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-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893757
N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523908
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523924
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787744
N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide
CID 90523930
N'-(3-chloro-4-methylphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 122265865
N'-(3-chloro-4-methylphenyl)-N-[2-[5-(furan-2-yl)thiophen-2-yl]ethyl]oxamide
CID 163347266
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]oxamide
CID 96530973
N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523886

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide (CID 71787751) is N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide is Cc1ccc(NC(=O)C(=O)NCCC(O)c2ccco2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The InChIKey is ITAJVJRXWKEAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-10-4-5-11(9-12(10)17)19-16(22)15(21)18-7-6-13(20)14-3-2-8-23-14/h2-5,8-9,13,20H,6-7H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide has a molecular weight of 336.78 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide is sourced from PubChem (CID 71787751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).