N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide

C16H15ClN2O2 — CID 2174354

IUPACN'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
SMILESCc1ccccc1CNC(=O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O2/c1-11-5-2-3-6-12(11)10-18-15(20)16(21)19-14-8-4-7-13(17)9-14/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyCABJZWGGVZTFGY-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.90
Rot. Bonds3

About N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide

N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide (PubChem CID 2174354) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
PubChem CID2174354
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
SMILESCc1ccccc1CNC(=O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O2/c1-11-5-2-3-6-12(11)10-18-15(20)16(21)19-14-8-4-7-13(17)9-14/h2-9H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyCABJZWGGVZTFGY-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylphenyl)methyl]-N'-phenyloxamide
CID 2174485
N'-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2184173
N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 108984615
3-chloro-N-[(2-methylphenyl)methyl]aniline
CID 28513469
N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7585276
N'-(2-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174333
N-[(2-chlorophenyl)methyl]-N'-(3,5-dichlorophenyl)oxamide
CID 108506161
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(3-chlorophenyl)-3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 20951461
N'-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7292696
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 4297035
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 3358290

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide (CID 2174354) is N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide is Cc1ccccc1CNC(=O)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide?
The InChIKey is CABJZWGGVZTFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-5-2-3-6-12(11)10-18-15(20)16(21)19-14-8-4-7-13(17)9-14/h2-9H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide?
N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide has a molecular weight of 302.76 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide is sourced from PubChem (CID 2174354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).