3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one

C19H20BrNO2 — CID 91755643

IUPAC3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
SMILESO=C(CCc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20BrNO2/c20-17-6-1-15(2-7-17)3-10-19(22)16-4-8-18(9-5-16)21-11-13-23-14-12-21/h1-2,4-9H,3,10-14H2
InChIKeyJSFPNQMLYXYRIE-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.10
Rot. Bonds5

About 3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one

3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one (PubChem CID 91755643) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
PubChem CID91755643
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
SMILESO=C(CCc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H20BrNO2/c20-17-6-1-15(2-7-17)3-10-19(22)16-4-8-18(9-5-16)21-11-13-23-14-12-21/h1-2,4-9H,3,10-14H2
InChIKeyJSFPNQMLYXYRIE-UHFFFAOYSA-N
XLogP4.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 90150489
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one
CID 53415708
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
5-(4-morpholin-4-ylphenyl)pentanamide
CID 155168497
1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride
CID 24747690
(E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8685378
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271
N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110649192
1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one
CID 134815876
2-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-1-(4-morpholin-4-ylphenyl)ethanone
CID 147593582

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one?
The IUPAC name of 3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one (CID 91755643) is 3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one?
The canonical SMILES for 3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one is O=C(CCc1ccc(Br)cc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one?
The InChIKey is JSFPNQMLYXYRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c20-17-6-1-15(2-7-17)3-10-19(22)16-4-8-18(9-5-16)21-11-13-23-14-12-21/h1-2,4-9H,3,10-14H2.
What are the key properties of 3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one?
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one has a molecular weight of 374.28 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one is sourced from PubChem (CID 91755643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).