3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide

C22H27ClN2O3 — CID 3155496

IUPAC3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1cc(Cl)ccc1O)NCCCN1CCOCC1
InChIInChI=1S/C22H27ClN2O3/c23-18-7-8-21(26)20(15-18)19(17-5-2-1-3-6-17)16-22(27)24-9-4-10-25-11-13-28-14-12-25/h1-3,5-8,15,19,26H,4,9-14,16H2,(H,24,27)
InChIKeyRAJZCWMYQBWRSA-UHFFFAOYSA-N
MW402.92 g/mol
LogP3.41
Rot. Bonds8

About 3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide

3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide (PubChem CID 3155496) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
PubChem CID3155496
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1cc(Cl)ccc1O)NCCCN1CCOCC1
InChIInChI=1S/C22H27ClN2O3/c23-18-7-8-21(26)20(15-18)19(17-5-2-1-3-6-17)16-22(27)24-9-4-10-25-11-13-28-14-12-25/h1-3,5-8,15,19,26H,4,9-14,16H2,(H,24,27)
InChIKeyRAJZCWMYQBWRSA-UHFFFAOYSA-N
XLogP3.41
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-2-(3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl)phenol
CID 2963071
3-(2-Hydroxy-phenyl)-N-(2-morpholin-4-yl-ethyl)-3-phenyl-propionamide
CID 655118
3-(2-Hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 2852618
4-Chloro-2-[3-(4-morpholinyl)-3-oxo-1-phenylpropyl]phenol
CID 2952392
3-(5-Chloro-2-hydroxy-phenyl)-N-(2-morpholin-4-yl-ethyl)-3-phenyl-propionamide
CID 2951426
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 2951983
4-Chloro-2-[3-oxo-1-phenyl-3-(1-piperidinyl)propyl]phenol
CID 4646696
(3S)-3-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide
CID 25456349
(3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 26331462
(3R)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 26331465
3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 45232463
3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide
CID 2952080

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide (CID 3155496) is 3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide is O=C(CC(c1ccccc1)c1cc(Cl)ccc1O)NCCCN1CCOCC1.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide?
The InChIKey is RAJZCWMYQBWRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c23-18-7-8-21(26)20(15-18)19(17-5-2-1-3-6-17)16-22(27)24-9-4-10-25-11-13-28-14-12-25/h1-3,5-8,15,19,26H,4,9-14,16H2,(H,24,27).
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide?
3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide has a molecular weight of 402.92 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 3155496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).