[5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C17H19ClN2O3 — CID 91679339

IUPAC[5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(-c3ccc(Cl)c(N)c3)o2)CC(C)O1
InChIInChI=1S/C17H19ClN2O3/c1-10-8-20(9-11(2)22-10)17(21)16-6-5-15(23-16)12-3-4-13(18)14(19)7-12/h3-7,10-11H,8-9,19H2,1-2H3
InChIKeyGYFGAGKLNNUUPA-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.43
Rot. Bonds2

About [5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 91679339) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is [5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID91679339
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name[5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(-c3ccc(Cl)c(N)c3)o2)CC(C)O1
InChIInChI=1S/C17H19ClN2O3/c1-10-8-20(9-11(2)22-10)17(21)16-6-5-15(23-16)12-3-4-13(18)14(19)7-12/h3-7,10-11H,8-9,19H2,1-2H3
InChIKeyGYFGAGKLNNUUPA-UHFFFAOYSA-N
XLogP3.43
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone 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 [5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 91679339) is [5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(-c3ccc(Cl)c(N)c3)o2)CC(C)O1.
What is the InChIKey of [5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is GYFGAGKLNNUUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-10-8-20(9-11(2)22-10)17(21)16-6-5-15(23-16)12-3-4-13(18)14(19)7-12/h3-7,10-11H,8-9,19H2,1-2H3.
What are the key properties of [5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 334.80 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 91679339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).