2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone

C20H21ClN2O3 — CID 126253048

IUPAC2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1c(Cl)cccc1/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21ClN2O3/c1-15-18(21)3-2-4-19(15)22-13-16-5-7-17(8-6-16)26-14-20(24)23-9-11-25-12-10-23/h2-8,13H,9-12,14H2,1H3/b22-13+
InChIKeyKJJNPNOTXOAYJD-LPYMAVHISA-N
MW372.85 g/mol
LogP3.64
Rot. Bonds5

About 2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone

2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 126253048) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID126253048
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCc1c(Cl)cccc1/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H21ClN2O3/c1-15-18(21)3-2-4-19(15)22-13-16-5-7-17(8-6-16)26-14-20(24)23-9-11-25-12-10-23/h2-8,13H,9-12,14H2,1H3/b22-13+
InChIKeyKJJNPNOTXOAYJD-LPYMAVHISA-N
XLogP3.64
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246748
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137129137
2-[4-[(4-chloro-2-hydroxyphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126243345
3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid
CID 126245308
2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 5173161
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 124535393
1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone
CID 126243299
2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246659
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
2-chloro-N-[3-methyl-1-[2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 5018350
2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 112612580

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone (CID 126253048) is 2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone is Cc1c(Cl)cccc1/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is KJJNPNOTXOAYJD-LPYMAVHISA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-15-18(21)3-2-4-19(15)22-13-16-5-7-17(8-6-16)26-14-20(24)23-9-11-25-12-10-23/h2-8,13H,9-12,14H2,1H3/b22-13+.
What are the key properties of 2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 372.85 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 126253048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).