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

C17H16ClF3N2O2 — CID 86711843

IUPAC[3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(F)(F)F)[nH]c(C(=O)N2CCOCC2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClF3N2O2/c1-10-13(11-2-4-12(18)5-3-11)14(22-15(10)17(19,20)21)16(24)23-6-8-25-9-7-23/h2-5,22H,6-9H2,1H3
InChIKeyNUQVFCLVQDZYAP-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.13
Rot. Bonds2

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

[3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone (PubChem CID 86711843) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
PubChem CID86711843
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC Name[3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(F)(F)F)[nH]c(C(=O)N2CCOCC2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClF3N2O2/c1-10-13(11-2-4-12(18)5-3-11)14(22-15(10)17(19,20)21)16(24)23-6-8-25-9-7-23/h2-5,22H,6-9H2,1H3
InChIKeyNUQVFCLVQDZYAP-UHFFFAOYSA-N
XLogP4.13
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone (CID 86711843) is [3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone is Cc1c(C(F)(F)F)[nH]c(C(=O)N2CCOCC2)c1-c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is NUQVFCLVQDZYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-10-13(11-2-4-12(18)5-3-11)14(22-15(10)17(19,20)21)16(24)23-6-8-25-9-7-23/h2-5,22H,6-9H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
[3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 372.77 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-4-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 86711843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).