2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride

C15H22Cl2N2O2 — CID 154856473

IUPAC2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
SMILESCc1cccc(C(CNC(=O)CCl)N2CCOCC2)c1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-12-3-2-4-13(9-12)14(11-17-15(19)10-16)18-5-7-20-8-6-18;/h2-4,9,14H,5-8,10-11H2,1H3,(H,17,19);1H
InChIKeyWRBIWEWJLRRZEN-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.15
Rot. Bonds5

About 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride

2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride (PubChem CID 154856473) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
PubChem CID154856473
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
SMILESCc1cccc(C(CNC(=O)CCl)N2CCOCC2)c1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-12-3-2-4-13(9-12)14(11-17-15(19)10-16)18-5-7-20-8-6-18;/h2-4,9,14H,5-8,10-11H2,1H3,(H,17,19);1H
InChIKeyWRBIWEWJLRRZEN-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
2-(3,4-dimethylphenoxy)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 110304123
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148
2-chloro-6-fluoro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506509
3-(furan-2-yl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 110304126
4-hydroxy-N-[2-[[(2S)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 95143165
3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849677
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]cyclopentene-1-carboxamide
CID 167784651
3-bromo-N-[2-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide
CID 55659969
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119849719

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride?
The IUPAC name of 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride (CID 154856473) is 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride is Cc1cccc(C(CNC(=O)CCl)N2CCOCC2)c1.Cl.
What is the InChIKey of 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride?
The InChIKey is WRBIWEWJLRRZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-12-3-2-4-13(9-12)14(11-17-15(19)10-16)18-5-7-20-8-6-18;/h2-4,9,14H,5-8,10-11H2,1H3,(H,17,19);1H.
What are the key properties of 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride?
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride is sourced from PubChem (CID 154856473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).