[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone

C21H22ClNO3 — CID 95195384

IUPAC[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone
SMILESCOc1cc2c(cc1C(=O)N1CCO[C@H](c3ccc(Cl)cc3)C1)CCC2
InChIInChI=1S/C21H22ClNO3/c1-25-19-12-16-4-2-3-15(16)11-18(19)21(24)23-9-10-26-20(13-23)14-5-7-17(22)8-6-14/h5-8,11-12,20H,2-4,9-10,13H2,1H3/t20-/m0/s1
InChIKeyHXQZGJLXRWWEJY-FQEVSTJZSA-N
MW371.86 g/mol
LogP4.05
Rot. Bonds3

About [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone

[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone (PubChem CID 95195384) has the molecular formula C21H22ClNO3 and a molecular weight of 371.86 g/mol. Its IUPAC name is [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone
PubChem CID95195384
Molecular FormulaC21H22ClNO3
Molecular Weight371.86 g/mol
Exact Mass371.13
IUPAC Name[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone
SMILESCOc1cc2c(cc1C(=O)N1CCO[C@H](c3ccc(Cl)cc3)C1)CCC2
InChIInChI=1S/C21H22ClNO3/c1-25-19-12-16-4-2-3-15(16)11-18(19)21(24)23-9-10-26-20(13-23)14-5-7-17(22)8-6-14/h5-8,11-12,20H,2-4,9-10,13H2,1H3/t20-/m0/s1
InChIKeyHXQZGJLXRWWEJY-FQEVSTJZSA-N
XLogP4.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone with MolForge

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Related Compounds

(4-chloro-2-methoxyphenyl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95203094
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657
[(2R)-2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 97350041
(2-methoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110326509
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 95197408
(2,5-dimethoxyphenyl)-(2-phenylmorpholin-4-yl)methanone
CID 84544929
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 146042813
2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)morpholine-4-carboxamide
CID 87034963
(5-chloro-2-methoxyphenyl)-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128967021
methyl 3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-5-nitrobenzoate
CID 55947888
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
(2-fluorophenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327171

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone?
The IUPAC name of [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone (CID 95195384) is [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone.
What is the SMILES notation for [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone?
The canonical SMILES for [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone is COc1cc2c(cc1C(=O)N1CCO[C@H](c3ccc(Cl)cc3)C1)CCC2.
What is the InChIKey of [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone?
The InChIKey is HXQZGJLXRWWEJY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22ClNO3/c1-25-19-12-16-4-2-3-15(16)11-18(19)21(24)23-9-10-26-20(13-23)14-5-7-17(22)8-6-14/h5-8,11-12,20H,2-4,9-10,13H2,1H3/t20-/m0/s1.
What are the key properties of [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone?
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone has a molecular weight of 371.86 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(6-methoxy-2,3-dihydro-1H-inden-5-yl)methanone is sourced from PubChem (CID 95195384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).