N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide

C14H16Cl2N2O3 — CID 108943767

IUPACN'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)cc1Cl)NCC1CCCO1
InChIInChI=1S/C14H16Cl2N2O3/c15-9-3-4-12(11(16)6-9)18-14(20)7-13(19)17-8-10-2-1-5-21-10/h3-4,6,10H,1-2,5,7-8H2,(H,17,19)(H,18,20)
InChIKeyPUDCCCMRDPIFED-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.62
Rot. Bonds5

About N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide

N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide (PubChem CID 108943767) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide
PubChem CID108943767
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC NameN'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)cc1Cl)NCC1CCCO1
InChIInChI=1S/C14H16Cl2N2O3/c15-9-3-4-12(11(16)6-9)18-14(20)7-13(19)17-8-10-2-1-5-21-10/h3-4,6,10H,1-2,5,7-8H2,(H,17,19)(H,18,20)
InChIKeyPUDCCCMRDPIFED-UHFFFAOYSA-N
XLogP2.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-chloro-3-[[3-oxo-3-(oxolan-2-ylmethylamino)propanoyl]amino]benzoate
CID 108943737
N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943710
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 108994371
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591
3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015968
N'-(2-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943680
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
N'-[(Z)-[2-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 126268961
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide
CID 108507658
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51934800
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2235690

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide?
The IUPAC name of N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide (CID 108943767) is N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide.
What is the SMILES notation for N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide?
The canonical SMILES for N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide is O=C(CC(=O)Nc1ccc(Cl)cc1Cl)NCC1CCCO1.
What is the InChIKey of N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide?
The InChIKey is PUDCCCMRDPIFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-9-3-4-12(11(16)6-9)18-14(20)7-13(19)17-8-10-2-1-5-21-10/h3-4,6,10H,1-2,5,7-8H2,(H,17,19)(H,18,20).
What are the key properties of N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide?
N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide has a molecular weight of 331.20 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide is sourced from PubChem (CID 108943767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).