2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide

C15H19ClN2O3 — CID 113171488

IUPAC2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c1-11(19)18(13-6-4-12(16)5-7-13)10-15(20)17-9-14-3-2-8-21-14/h4-7,14H,2-3,8-10H2,1H3,(H,17,20)
InChIKeyPCYVZRMDGNKZSO-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.99
Rot. Bonds5

About 2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide

2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 113171488) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID113171488
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c1-11(19)18(13-6-4-12(16)5-7-13)10-15(20)17-9-14-3-2-8-21-14/h4-7,14H,2-3,8-10H2,1H3,(H,17,20)
InChIKeyPCYVZRMDGNKZSO-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N,4-diacetylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113175560
3-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113127358
2-(N-acetyl-4-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169221
2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113173863
2-(4-chloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 976928
2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113177577
2-(N-acetyl-2,4-dimethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167863
2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167272
N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3206947
2-(N-acetyl-2-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169027
3-(N-acetyl-4-tert-butylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113126514
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2223143

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide (CID 113171488) is 2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide is CC(=O)N(CC(=O)NCC1CCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PCYVZRMDGNKZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-11(19)18(13-6-4-12(16)5-7-13)10-15(20)17-9-14-3-2-8-21-14/h4-7,14H,2-3,8-10H2,1H3,(H,17,20).
What are the key properties of 2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide?
2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 310.78 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloroanilino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 113171488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).