2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride

C19H28Cl2N2O3 — CID 20994956

IUPAC2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(COc1cccc(Cl)c1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H27ClN2O3.ClH/c20-16-5-4-6-17(13-16)25-14-18(23)21-15-19(7-2-1-3-8-19)22-9-11-24-12-10-22;/h4-6,13H,1-3,7-12,14-15H2,(H,21,23);1H
InChIKeyPRAQBOTUKHXEKK-UHFFFAOYSA-N
MW403.35 g/mol
LogP3.29
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride

2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride (PubChem CID 20994956) has the molecular formula C19H28Cl2N2O3 and a molecular weight of 403.35 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
PubChem CID20994956
Molecular FormulaC19H28Cl2N2O3
Molecular Weight403.35 g/mol
Exact Mass402.15
IUPAC Name2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(COc1cccc(Cl)c1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H27ClN2O3.ClH/c20-16-5-4-6-17(13-16)25-14-18(23)21-15-19(7-2-1-3-8-19)22-9-11-24-12-10-22;/h4-6,13H,1-3,7-12,14-15H2,(H,21,23);1H
InChIKeyPRAQBOTUKHXEKK-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 55666927
2-(2-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994960
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 55536838
2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362360
2-(2,4-difluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 39430568
2-[1-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81163585
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide
CID 139027118
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 47056038
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide
CID 106300559

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride (CID 20994956) is 2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride is Cl.O=C(COc1cccc(Cl)c1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride?
The InChIKey is PRAQBOTUKHXEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3.ClH/c20-16-5-4-6-17(13-16)25-14-18(23)21-15-19(7-2-1-3-8-19)22-9-11-24-12-10-22;/h4-6,13H,1-3,7-12,14-15H2,(H,21,23);1H.
What are the key properties of 2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride?
2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride has a molecular weight of 403.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 20994956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).