1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone

C16H17ClN2O2 — CID 10685977

IUPAC1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone
SMILESCC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1
InChIInChI=1S/C16H17ClN2O2/c1-11(20)15-16(19-6-8-21-9-7-19)14(10-18-15)12-2-4-13(17)5-3-12/h2-5,10,18H,6-9H2,1H3
InChIKeyKTBWBTYKKZMTGZ-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.37
Rot. Bonds3

About 1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone

1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone (PubChem CID 10685977) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone
PubChem CID10685977
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone
SMILESCC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1
InChIInChI=1S/C16H17ClN2O2/c1-11(20)15-16(19-6-8-21-9-7-19)14(10-18-15)12-2-4-13(17)5-3-12/h2-5,10,18H,6-9H2,1H3
InChIKeyKTBWBTYKKZMTGZ-UHFFFAOYSA-N
XLogP3.37
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone (CID 10685977) is 1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone is CC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCOCC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone?
The InChIKey is KTBWBTYKKZMTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(20)15-16(19-6-8-21-9-7-19)14(10-18-15)12-2-4-13(17)5-3-12/h2-5,10,18H,6-9H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone?
1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone has a molecular weight of 304.78 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]ethanone is sourced from PubChem (CID 10685977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).