N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide

C17H17ClN2O2 — CID 44996296

IUPACN'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-11(2)12-6-8-14(9-7-12)19-16(21)17(22)20-15-5-3-4-13(18)10-15/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyZBTPLYLXEBPCGW-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.04
Rot. Bonds3

About N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide

N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide (PubChem CID 44996296) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide
PubChem CID44996296
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccc(NC(=O)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O2/c1-11(2)12-6-8-14(9-7-12)19-16(21)17(22)20-15-5-3-4-13(18)10-15/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyZBTPLYLXEBPCGW-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.04
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-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
1-(3-chlorophenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 60723574
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
methyl 3-[[2-oxo-2-(4-propan-2-ylanilino)acetyl]amino]benzoate
CID 108986948
N'-(3-nitrophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 45001038
1-(4-butan-2-ylphenyl)-3-(3-chlorophenyl)urea
CID 2930662
N-[(3-chlorophenyl)carbamothioyl]-4-propan-2-ylbenzamide
CID 883458
N'-(3-chlorophenyl)-N-(4-phenoxyphenyl)oxamide
CID 44996265
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide (CID 44996296) is N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide is CC(C)c1ccc(NC(=O)C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide?
The InChIKey is ZBTPLYLXEBPCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11(2)12-6-8-14(9-7-12)19-16(21)17(22)20-15-5-3-4-13(18)10-15/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide?
N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide has a molecular weight of 316.79 g/mol, XLogP of 4.04, 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-(4-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 44996296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).