2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

C20H23BrN2O3 — CID 132666019

IUPAC2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H23BrN2O3/c1-15(26-19-8-4-17(21)5-9-19)20(24)22-14-16-2-6-18(7-3-16)23-10-12-25-13-11-23/h2-9,15H,10-14H2,1H3,(H,22,24)
InChIKeyKSZLCVVZPGQXJK-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.37
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 132666019) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
PubChem CID132666019
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H23BrN2O3/c1-15(26-19-8-4-17(21)5-9-19)20(24)22-14-16-2-6-18(7-3-16)23-10-12-25-13-11-23/h2-9,15H,10-14H2,1H3,(H,22,24)
InChIKeyKSZLCVVZPGQXJK-UHFFFAOYSA-N
XLogP3.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-morpholin-4-ylphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282855
(2R)-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100717488
(2R)-2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2203701
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971
(2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
CID 25337305
2-(4-fluorophenoxy)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56919529
2-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 51327676
2-(2,5-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282901
2-(4-bromophenoxy)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55709018
N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133235388
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
2-(4-cyanophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 42919488

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (CID 132666019) is 2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is CC(Oc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is KSZLCVVZPGQXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-15(26-19-8-4-17(21)5-9-19)20(24)22-14-16-2-6-18(7-3-16)23-10-12-25-13-11-23/h2-9,15H,10-14H2,1H3,(H,22,24).
What are the key properties of 2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 419.32 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 132666019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).