1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one

C19H20BrNO2 — CID 3816756

IUPAC1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one
SMILESO=C(c1ccc(Br)cc1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C19H20BrNO2/c20-17-8-6-16(7-9-17)19(22)18(15-4-2-1-3-5-15)14-21-10-12-23-13-11-21/h1-9,18H,10-14H2
InChIKeyGBENPFHLRCFAOS-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.75
Rot. Bonds5

About 1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one

1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one (PubChem CID 3816756) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one
PubChem CID3816756
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Name1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one
SMILESO=C(c1ccc(Br)cc1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C19H20BrNO2/c20-17-8-6-16(7-9-17)19(22)18(15-4-2-1-3-5-15)14-21-10-12-23-13-11-21/h1-9,18H,10-14H2
InChIKeyGBENPFHLRCFAOS-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one (CID 3816756) is 1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one is O=C(c1ccc(Br)cc1)C(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one?
The InChIKey is GBENPFHLRCFAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c20-17-8-6-16(7-9-17)19(22)18(15-4-2-1-3-5-15)14-21-10-12-23-13-11-21/h1-9,18H,10-14H2.
What are the key properties of 1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one?
1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one has a molecular weight of 374.28 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-morpholin-4-yl-2-phenylpropan-1-one is sourced from PubChem (CID 3816756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).