N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide

C12H15ClN2O2 — CID 63331642

IUPACN-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CCOC2)cc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-8(16)14-12-3-2-9(6-11(12)13)15-10-4-5-17-7-10/h2-3,6,10,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyNOGHAFVOMRGRCW-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.50
Rot. Bonds3

About N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide

N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide (PubChem CID 63331642) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
PubChem CID63331642
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CCOC2)cc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-8(16)14-12-3-2-9(6-11(12)13)15-10-4-5-17-7-10/h2-3,6,10,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyNOGHAFVOMRGRCW-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide (CID 63331642) is N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide is CC(=O)Nc1ccc(NC2CCOC2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide?
The InChIKey is NOGHAFVOMRGRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8(16)14-12-3-2-9(6-11(12)13)15-10-4-5-17-7-10/h2-3,6,10,15H,4-5,7H2,1H3,(H,14,16).
What are the key properties of N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide?
N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide has a molecular weight of 254.72 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide is sourced from PubChem (CID 63331642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).