3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride

C22H25Cl2NO3 — CID 142765989

IUPAC3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride
SMILESO=C(Cl)CCN1CCOC(c2ccc(OCCCc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C22H25Cl2NO3/c23-19-7-3-17(4-8-19)2-1-14-27-20-9-5-18(6-10-20)21-16-25(13-15-28-21)12-11-22(24)26/h3-10,21H,1-2,11-16H2
InChIKeyQZJIMSFVEZLKGH-UHFFFAOYSA-N
MW422.35 g/mol
LogP4.88
Rot. Bonds9

About 3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride

3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride (PubChem CID 142765989) has the molecular formula C22H25Cl2NO3 and a molecular weight of 422.35 g/mol. Its IUPAC name is 3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride.

Molecular Properties

Compound Name3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride
PubChem CID142765989
Molecular FormulaC22H25Cl2NO3
Molecular Weight422.35 g/mol
Exact Mass421.12
IUPAC Name3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride
SMILESO=C(Cl)CCN1CCOC(c2ccc(OCCCc3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C22H25Cl2NO3/c23-19-7-3-17(4-8-19)2-1-14-27-20-9-5-18(6-10-20)21-16-25(13-15-28-21)12-11-22(24)26/h3-10,21H,1-2,11-16H2
InChIKeyQZJIMSFVEZLKGH-UHFFFAOYSA-N
XLogP4.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.35
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide
CID 95415223
3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564157
3-[(2S)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564158
3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid
CID 124564116
3-[2-[4-[[2-chloro-3-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoyl chloride
CID 142766039
methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate
CID 56878101
3-[2-(4-hex-5-ynoxyphenyl)morpholin-4-yl]propanoic acid
CID 51002386
2-(4-chlorophenoxy)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 30851045
2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride
CID 141298267
3-[2-[4-[(2-chloro-5-propylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67032565
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate
CID 92969335
tert-butyl 3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoate
CID 67035803

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride?
The IUPAC name of 3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride (CID 142765989) is 3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride.
What is the SMILES notation for 3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride?
The canonical SMILES for 3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride is O=C(Cl)CCN1CCOC(c2ccc(OCCCc3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride?
The InChIKey is QZJIMSFVEZLKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2NO3/c23-19-7-3-17(4-8-19)2-1-14-27-20-9-5-18(6-10-20)21-16-25(13-15-28-21)12-11-22(24)26/h3-10,21H,1-2,11-16H2.
What are the key properties of 3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride?
3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride has a molecular weight of 422.35 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride is sourced from PubChem (CID 142765989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).