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

C17H19ClN2O3 — CID 100804516

IUPAC[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(-c3ccc(N)cc3Cl)o2)C[C@@H](C)O1
InChIInChI=1S/C17H19ClN2O3/c1-10-8-20(9-11(2)22-10)17(21)16-6-5-15(23-16)13-4-3-12(19)7-14(13)18/h3-7,10-11H,8-9,19H2,1-2H3/t10-,11-/m1/s1
InChIKeyBGNLEUCYVZWEOZ-GHMZBOCLSA-N
MW334.80 g/mol
LogP3.43
Rot. Bonds2

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

[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 100804516) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is [5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID100804516
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(-c3ccc(N)cc3Cl)o2)C[C@@H](C)O1
InChIInChI=1S/C17H19ClN2O3/c1-10-8-20(9-11(2)22-10)17(21)16-6-5-15(23-16)13-4-3-12(19)7-14(13)18/h3-7,10-11H,8-9,19H2,1-2H3/t10-,11-/m1/s1
InChIKeyBGNLEUCYVZWEOZ-GHMZBOCLSA-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-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-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

Related Compounds

[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804507
[5-(4-amino-2-methylphenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 91679348
[5-(4-aminophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804498
[5-(3-amino-4-chlorophenyl)furan-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 91679339
(4-amino-2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 16775580
[5-(4-amino-2-bromophenyl)furan-2-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804512
[5-(4-amino-2-methoxyphenyl)furan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 91679345
methyl 5-(4-amino-2-chlorophenyl)furan-2-carboxylate
CID 7175940
[5-(3-amino-4-methoxyphenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 100804554
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931481
[5-(2-chlorophenyl)furan-2-yl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 42000409
[5-(5-amino-2-chlorophenyl)furan-2-yl]-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 100804658

Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 100804516) is [5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2ccc(-c3ccc(N)cc3Cl)o2)C[C@@H](C)O1.
What is the InChIKey of [5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is BGNLEUCYVZWEOZ-GHMZBOCLSA-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)13-4-3-12(19)7-14(13)18/h3-7,10-11H,8-9,19H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of [5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-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-(4-amino-2-chlorophenyl)furan-2-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 100804516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).