N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide

C17H17ClN2O3 — CID 108984763

IUPACN'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1cccc(C)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-4-3-5-12(8-11)10-19-16(21)17(22)20-14-9-13(18)6-7-15(14)23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUFMXDUQJEGBFAI-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.91
Rot. Bonds4

About N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide

N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide (PubChem CID 108984763) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide
PubChem CID108984763
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)NCc1cccc(C)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-4-3-5-12(8-11)10-19-16(21)17(22)20-14-9-13(18)6-7-15(14)23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyUFMXDUQJEGBFAI-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502199
N'-(5-chloro-2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2274078
N-(2-methoxy-5-methylphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996806
N'-(5-chloro-2-methoxyphenyl)-N-(3-methylphenyl)propanediamide
CID 108953026
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-[2-(3-methylphenyl)ethylamino]prop-2-enamide
CID 108827949
N'-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 51471617
(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8763498
N-(5-chloro-2-methoxyphenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108502213
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
N'-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 44902655
N'-(5-chloro-2-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502150
N-[(3-methylphenyl)methyl]-N'-(2-phenoxyphenyl)oxamide
CID 108984808

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide (CID 108984763) is N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)NCc1cccc(C)c1.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide?
The InChIKey is UFMXDUQJEGBFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-4-3-5-12(8-11)10-19-16(21)17(22)20-14-9-13(18)6-7-15(14)23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide?
N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide has a molecular weight of 332.79 g/mol, XLogP of 2.91, 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-[(3-methylphenyl)methyl]oxamide is sourced from PubChem (CID 108984763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).