N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide

C14H17ClN2O3 — CID 47229364

IUPACN-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)Nc1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C14H17ClN2O3/c1-9(12-3-2-8-20-12)16-13(18)14(19)17-11-6-4-10(15)5-7-11/h4-7,9,12H,2-3,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyWLWYNMAAEGETJA-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.96
Rot. Bonds3

About N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide

N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide (PubChem CID 47229364) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide
PubChem CID47229364
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)Nc1ccc(Cl)cc1)C1CCCO1
InChIInChI=1S/C14H17ClN2O3/c1-9(12-3-2-8-20-12)16-13(18)14(19)17-11-6-4-10(15)5-7-11/h4-7,9,12H,2-3,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyWLWYNMAAEGETJA-UHFFFAOYSA-N
XLogP1.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-[1-(oxolan-2-yl)ethyl]thiourea
CID 19675893
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
4-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198516
N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide
CID 95973999
4-chloro-N-[3-methyl-1-oxo-1-[1-(oxolan-2-yl)ethylamino]butan-2-yl]benzamide
CID 55609498
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
1-[(4-chlorophenyl)methyl]-1-methyl-3-[1-(oxolan-2-yl)ethyl]urea
CID 134006670
1-[1-(4-chlorophenyl)cyclohexyl]-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95760999
1-[1-(4-chlorophenyl)cyclohexyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95761001
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
(2R)-4-(4-chloroanilino)-4-oxo-2-[(2S)-oxolan-2-yl]butanoate
CID 7769521
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide?
The IUPAC name of N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide (CID 47229364) is N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide is CC(NC(=O)C(=O)Nc1ccc(Cl)cc1)C1CCCO1.
What is the InChIKey of N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide?
The InChIKey is WLWYNMAAEGETJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9(12-3-2-8-20-12)16-13(18)14(19)17-11-6-4-10(15)5-7-11/h4-7,9,12H,2-3,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide?
N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide has a molecular weight of 296.75 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-[1-(oxolan-2-yl)ethyl]oxamide is sourced from PubChem (CID 47229364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).