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

C21H25ClN2O3 — CID 2951426

IUPAC3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1cc(Cl)ccc1O)NCCN1CCOCC1
InChIInChI=1S/C21H25ClN2O3/c22-17-6-7-20(25)19(14-17)18(16-4-2-1-3-5-16)15-21(26)23-8-9-24-10-12-27-13-11-24/h1-7,14,18,25H,8-13,15H2,(H,23,26)
InChIKeyPRQIPHCPPAMKFP-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.02
Rot. Bonds7

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

3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide (PubChem CID 2951426) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
PubChem CID2951426
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1cc(Cl)ccc1O)NCCN1CCOCC1
InChIInChI=1S/C21H25ClN2O3/c22-17-6-7-20(25)19(14-17)18(16-4-2-1-3-5-16)15-21(26)23-8-9-24-10-12-27-13-11-24/h1-7,14,18,25H,8-13,15H2,(H,23,26)
InChIKeyPRQIPHCPPAMKFP-UHFFFAOYSA-N
XLogP3.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-2-[3-oxo-1-phenyl-3-(1-pyrrolidinyl)propyl]phenol
CID 2963071
3-(5-chloro-2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
CID 3155496
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-hydroxyphenyl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 2951983
(2R,4S)-N-[(2S)-1-[(5-chloro-2-hydroxyphenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperidine-2-carboxamide
CID 149132307
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
N-[2-[4-[(5-chloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 137550833
(E)-3-(5-chloro-2-hydroxyphenyl)-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]prop-2-enamide
CID 10274336
(3S)-3-(3-chlorophenyl)-3-(2-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 26331462

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
The IUPAC name of 3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide (CID 2951426) is 3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide.
What is the SMILES notation for 3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
The canonical SMILES for 3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide is O=C(CC(c1ccccc1)c1cc(Cl)ccc1O)NCCN1CCOCC1.
What is the InChIKey of 3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
The InChIKey is PRQIPHCPPAMKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c22-17-6-7-20(25)19(14-17)18(16-4-2-1-3-5-16)15-21(26)23-8-9-24-10-12-27-13-11-24/h1-7,14,18,25H,8-13,15H2,(H,23,26).
What are the key properties of 3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
3-(5-chloro-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide has a molecular weight of 388.90 g/mol, XLogP of 3.02, 7 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-(2-morpholin-4-ylethyl)-3-phenylpropanamide is sourced from PubChem (CID 2951426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).