5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride

C20H26Cl3N3O2 — CID 120642320

IUPAC5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC(c1ccccc1Cl)N1CCOCC1.Cl.Cl
InChIInChI=1S/C20H24ClN3O2.2ClH/c1-14-6-7-15(22)12-17(14)20(25)23-13-19(24-8-10-26-11-9-24)16-4-2-3-5-18(16)21;;/h2-7,12,19H,8-11,13,22H2,1H3,(H,23,25);2*1H
InChIKeyYCOWZRDQXMNIIK-UHFFFAOYSA-N
MW446.81 g/mol
LogP3.88
Rot. Bonds5

About 5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride

5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride (PubChem CID 120642320) has the molecular formula C20H26Cl3N3O2 and a molecular weight of 446.81 g/mol. Its IUPAC name is 5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride
PubChem CID120642320
Molecular FormulaC20H26Cl3N3O2
Molecular Weight446.81 g/mol
Exact Mass445.11
IUPAC Name5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC(c1ccccc1Cl)N1CCOCC1.Cl.Cl
InChIInChI=1S/C20H24ClN3O2.2ClH/c1-14-6-7-15(22)12-17(14)20(25)23-13-19(24-8-10-26-11-9-24)16-4-2-3-5-18(16)21;;/h2-7,12,19H,8-11,13,22H2,1H3,(H,23,25);2*1H
InChIKeyYCOWZRDQXMNIIK-UHFFFAOYSA-N
XLogP3.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.81
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,4-dimethylbenzamide
CID 46412391
5-amino-2-methyl-N-(2-morpholin-4-ylpropyl)benzamide;dihydrochloride
CID 120642354
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 60509787
2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide
CID 55609908
3,5-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 46398915
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide;hydrochloride
CID 52984554
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
4-amino-2-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
CID 119829185
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 41218768

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride?
The IUPAC name of 5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride (CID 120642320) is 5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride.
What is the SMILES notation for 5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride?
The canonical SMILES for 5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride is Cc1ccc(N)cc1C(=O)NCC(c1ccccc1Cl)N1CCOCC1.Cl.Cl.
What is the InChIKey of 5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride?
The InChIKey is YCOWZRDQXMNIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2.2ClH/c1-14-6-7-15(22)12-17(14)20(25)23-13-19(24-8-10-26-11-9-24)16-4-2-3-5-18(16)21;;/h2-7,12,19H,8-11,13,22H2,1H3,(H,23,25);2*1H.
What are the key properties of 5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride?
5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride has a molecular weight of 446.81 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzamide;dihydrochloride is sourced from PubChem (CID 120642320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).