N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide

C15H19ClN2O3 — CID 108943710

IUPACN'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NCC2CCCO2)cc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-10-4-5-11(7-13(10)16)18-15(20)8-14(19)17-9-12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyIGQUSURCPLTJPG-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.27
Rot. Bonds5

About N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide

N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide (PubChem CID 108943710) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
PubChem CID108943710
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC NameN'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)NCC2CCCO2)cc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-10-4-5-11(7-13(10)16)18-15(20)8-14(19)17-9-12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyIGQUSURCPLTJPG-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide 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

N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
N'-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943726
N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943767
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-(3,4-dichlorophenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016147
(2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide
CID 2442322
N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943680
methyl 4-chloro-3-[[3-oxo-3-(oxolan-2-ylmethylamino)propanoyl]amino]benzoate
CID 108943737
4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206834
N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
CID 108951589

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide (CID 108943710) is N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide is Cc1ccc(NC(=O)CC(=O)NCC2CCCO2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide?
The InChIKey is IGQUSURCPLTJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-4-5-11(7-13(10)16)18-15(20)8-14(19)17-9-12-3-2-6-21-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide?
N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide has a molecular weight of 310.78 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide is sourced from PubChem (CID 108943710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).