N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide

C16H17ClN2O3 — CID 56765611

IUPACN'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide
SMILESCc1cc(CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c(C)o1
InChIInChI=1S/C16H17ClN2O3/c1-9-4-5-13(7-14(9)17)19-16(21)15(20)18-8-12-6-10(2)22-11(12)3/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyMJPJUWXWSOXNGY-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.11
Rot. Bonds3

About N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide

N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide (PubChem CID 56765611) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide
PubChem CID56765611
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide
SMILESCc1cc(CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c(C)o1
InChIInChI=1S/C16H17ClN2O3/c1-9-4-5-13(7-14(9)17)19-16(21)15(20)18-8-12-6-10(2)22-11(12)3/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyMJPJUWXWSOXNGY-UHFFFAOYSA-N
XLogP3.11
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-methylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]oxamide
CID 108985903
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
N'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
N'-(3-chloro-4-methylphenyl)-N-dodecyloxamide
CID 124529536
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N-[(2,5-dimethylfuran-3-yl)methyl]-N'-(2-methoxyphenyl)oxamide
CID 90536251
N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 108984615
N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893757
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide (CID 56765611) is N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide is Cc1cc(CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c(C)o1.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide?
The InChIKey is MJPJUWXWSOXNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-9-4-5-13(7-14(9)17)19-16(21)15(20)18-8-12-6-10(2)22-11(12)3/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide?
N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide has a molecular weight of 320.78 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide is sourced from PubChem (CID 56765611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).