3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one

C18H18ClF3N2O2 — CID 56879161

IUPAC3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccc(Cl)cc2)[nH]1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C18H18ClF3N2O2/c19-13-3-1-12(2-4-13)15-7-5-14(23-15)6-8-17(25)24-9-10-26-16(11-24)18(20,21)22/h1-5,7,16,23H,6,8-11H2
InChIKeyUGMVHZHXJROHNF-UHFFFAOYSA-N
MW386.80 g/mol
LogP4.06
Rot. Bonds4

About 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one

3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one (PubChem CID 56879161) has the molecular formula C18H18ClF3N2O2 and a molecular weight of 386.80 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one
PubChem CID56879161
Molecular FormulaC18H18ClF3N2O2
Molecular Weight386.80 g/mol
Exact Mass386.10
IUPAC Name3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one
SMILESO=C(CCc1ccc(-c2ccc(Cl)cc2)[nH]1)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C18H18ClF3N2O2/c19-13-3-1-12(2-4-13)15-7-5-14(23-15)6-8-17(25)24-9-10-26-16(11-24)18(20,21)22/h1-5,7,16,23H,6,8-11H2
InChIKeyUGMVHZHXJROHNF-UHFFFAOYSA-N
XLogP4.06
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91761948
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4-[[5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]methyl]morpholine
CID 463868
(3S*,4R*)-1-{3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]propanoyl}-4-(hydroxymethyl)-3-piperidinol
CID 56892978
5-(4-chlorophenyl)-1-(2-fluorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 24718479
5-(4-chlorophenyl)-1-(2,4-difluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 42785692
5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 132456600
(3-(4-Chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl)(morpholino)methanone
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one (CID 56879161) is 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one is O=C(CCc1ccc(-c2ccc(Cl)cc2)[nH]1)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one?
The InChIKey is UGMVHZHXJROHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O2/c19-13-3-1-12(2-4-13)15-7-5-14(23-15)6-8-17(25)24-9-10-26-16(11-24)18(20,21)22/h1-5,7,16,23H,6,8-11H2.
What are the key properties of 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one?
3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one has a molecular weight of 386.80 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-1-[2-(trifluoromethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 56879161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).