N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide

C17H17ClN2O2 — CID 2844386

IUPACN-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-12(14-5-3-2-4-6-14)20-17(22)16(21)19-11-13-7-9-15(18)10-8-13/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWMVALJFKRIKUAL-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.83
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide

N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide (PubChem CID 2844386) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide
PubChem CID2844386
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H17ClN2O2/c1-12(14-5-3-2-4-6-14)20-17(22)16(21)19-11-13-7-9-15(18)10-8-13/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyWMVALJFKRIKUAL-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.83
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

1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
CID 108899206
N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
N'-[(1S)-1-phenylethyl]-N-(2-phenylethyl)oxamide
CID 2249935
N-[(2R)-2-hydroxy-2-phenylethyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40978744
4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086090
N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide
CID 3136532
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 42269040
N-(2-acetamidoethyl)-N'-(1-phenylethyl)oxamide
CID 108507932
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide (CID 2844386) is N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide?
The InChIKey is WMVALJFKRIKUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12(14-5-3-2-4-6-14)20-17(22)16(21)19-11-13-7-9-15(18)10-8-13/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide?
N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide has a molecular weight of 316.79 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 2844386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).