2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide

C22H27BrN2O3 — CID 55906965

IUPAC2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(Br)c1
InChIInChI=1S/C22H27BrN2O3/c1-16-3-8-21(20(23)15-16)28-17(2)22(26)24-19-6-4-18(5-7-19)9-10-25-11-13-27-14-12-25/h3-8,15,17H,9-14H2,1-2H3,(H,24,26)
InChIKeyYGSHBIVJRHZLHR-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.04
Rot. Bonds7

About 2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide

2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide (PubChem CID 55906965) has the molecular formula C22H27BrN2O3 and a molecular weight of 447.37 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
PubChem CID55906965
Molecular FormulaC22H27BrN2O3
Molecular Weight447.37 g/mol
Exact Mass446.12
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(Br)c1
InChIInChI=1S/C22H27BrN2O3/c1-16-3-8-21(20(23)15-16)28-17(2)22(26)24-19-6-4-18(5-7-19)9-10-25-11-13-27-14-12-25/h3-8,15,17H,9-14H2,1-2H3,(H,24,26)
InChIKeyYGSHBIVJRHZLHR-UHFFFAOYSA-N
XLogP4.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
CID 55905798
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 43200099
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
(2S)-N-(4-butylphenyl)-2-(2,4-dibromophenoxy)propanamide
CID 40736851
(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
CID 1234542
2-(2-bromo-4-methylphenoxy)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391338
N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266463
2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 5146954
2-(4-chlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108754563
2-(2-bromophenoxy)-N-(4-methylphenyl)propanamide
CID 112777983
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide (CID 55906965) is 2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide is Cc1ccc(OC(C)C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
The InChIKey is YGSHBIVJRHZLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3/c1-16-3-8-21(20(23)15-16)28-17(2)22(26)24-19-6-4-18(5-7-19)9-10-25-11-13-27-14-12-25/h3-8,15,17H,9-14H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide has a molecular weight of 447.37 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide is sourced from PubChem (CID 55906965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).