N'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide

C14H17ClN2O3 — CID 3149549

IUPACN'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NCC1CCCO1
InChIInChI=1S/C14H17ClN2O3/c15-12-6-2-1-4-10(12)8-16-13(18)14(19)17-9-11-5-3-7-20-11/h1-2,4,6,11H,3,5,7-9H2,(H,16,18)(H,17,19)
InChIKeyDNPGGNBVWRPAMC-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.25
Rot. Bonds4

About N'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide

N'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 3149549) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
PubChem CID3149549
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NCC1CCCO1
InChIInChI=1S/C14H17ClN2O3/c15-12-6-2-1-4-10(12)8-16-13(18)14(19)17-9-11-5-3-7-20-11/h1-2,4,6,11H,3,5,7-9H2,(H,16,18)(H,17,19)
InChIKeyDNPGGNBVWRPAMC-UHFFFAOYSA-N
XLogP1.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide (CID 3149549) is N'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide is O=C(NCc1ccccc1Cl)C(=O)NCC1CCCO1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is DNPGGNBVWRPAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-12-6-2-1-4-10(12)8-16-13(18)14(19)17-9-11-5-3-7-20-11/h1-2,4,6,11H,3,5,7-9H2,(H,16,18)(H,17,19).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide?
N'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 296.75 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 3149549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).