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

C21H25BrN2O3 — CID 2950323

IUPAC3-(5-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1cc(Br)ccc1O)NCCN1CCOCC1
InChIInChI=1S/C21H25BrN2O3/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)
InChIKeyVMWSSHLPOKCYIQ-UHFFFAOYSA-N
MW433.35 g/mol
LogP3.13
Rot. Bonds7

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

3-(5-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide (PubChem CID 2950323) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
PubChem CID2950323
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1cc(Br)ccc1O)NCCN1CCOCC1
InChIInChI=1S/C21H25BrN2O3/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)
InChIKeyVMWSSHLPOKCYIQ-UHFFFAOYSA-N
XLogP3.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 655118
CID 655118
CID 2943075
CID 2943075
CID 4267255
CID 4267255
CID 4694140
CID 4694140
CID 2852618
CID 2852618
CID 2943132
CID 2943132
CID 2959216
CID 2959216
CID 2965132
CID 2965132
CID 5122422
CID 5122422
CID 2945816
CID 2945816
CID 2963066
CID 2963066
CID 2925497
CID 2925497

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide (CID 2950323) is 3-(5-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide is O=C(CC(c1ccccc1)c1cc(Br)ccc1O)NCCN1CCOCC1.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
The InChIKey is VMWSSHLPOKCYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/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-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide?
3-(5-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide has a molecular weight of 433.35 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide is sourced from PubChem (CID 2950323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).