N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide

C17H17ClN2O3 — CID 2986502

IUPACN-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-11(12-6-4-3-5-7-12)19-16(21)17(22)20-14-10-13(18)8-9-15(14)23-2/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyIXYQQEDZXUMFNI-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.16
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide

N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide (PubChem CID 2986502) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
PubChem CID2986502
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-11(12-6-4-3-5-7-12)19-16(21)17(22)20-14-10-13(18)8-9-15(14)23-2/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyIXYQQEDZXUMFNI-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.16
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-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
N-(2,5-dimethoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 4058268
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 7830809
2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135673
(Z)-3-(5-chloro-2-methoxyanilino)-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 108839904
N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108502169
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 51471617
N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide
CID 108987184

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide (CID 2986502) is N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)NC(C)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide?
The InChIKey is IXYQQEDZXUMFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11(12-6-4-3-5-7-12)19-16(21)17(22)20-14-10-13(18)8-9-15(14)23-2/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide?
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide has a molecular weight of 332.79 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 2986502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).