2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide

C20H20BrClN2O4 — CID 17205542

IUPAC2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C20H20BrClN2O4/c1-13(28-18-6-5-15(22)12-17(18)21)19(25)23-16-4-2-3-14(11-16)20(26)24-7-9-27-10-8-24/h2-6,11-13H,7-10H2,1H3,(H,23,25)
InChIKeyVAGPTRQRJRBYHW-UHFFFAOYSA-N
MW467.75 g/mol
LogP3.98
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide

2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide (PubChem CID 17205542) has the molecular formula C20H20BrClN2O4 and a molecular weight of 467.75 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
PubChem CID17205542
Molecular FormulaC20H20BrClN2O4
Molecular Weight467.75 g/mol
Exact Mass466.03
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C20H20BrClN2O4/c1-13(28-18-6-5-15(22)12-17(18)21)19(25)23-16-4-2-3-14(11-16)20(26)24-7-9-27-10-8-24/h2-6,11-13H,7-10H2,1H3,(H,23,25)
InChIKeyVAGPTRQRJRBYHW-UHFFFAOYSA-N
XLogP3.98
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196402
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N,N-dimethylbenzamide
CID 17231884
2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 54788434
3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 43877946
2-(2-bromo-4-chlorophenoxy)-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 55643696
5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide
CID 17205565
3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205552
N-[3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17187626
2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
2-(2-chlorophenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 43886884
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide (CID 17205542) is 2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide?
The InChIKey is VAGPTRQRJRBYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClN2O4/c1-13(28-18-6-5-15(22)12-17(18)21)19(25)23-16-4-2-3-14(11-16)20(26)24-7-9-27-10-8-24/h2-6,11-13H,7-10H2,1H3,(H,23,25).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide?
2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide has a molecular weight of 467.75 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-[3-(morpholine-4-carbonyl)phenyl]propanamide is sourced from PubChem (CID 17205542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).