1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone

C20H25ClN2O2 — CID 10618556

IUPAC1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)c1c(C)c(C(=O)c2ccc(Cl)cc2)n(C)c1C
InChIInChI=1S/C20H25ClN2O2/c1-6-23(7-2)12-17(24)18-13(3)19(22(5)14(18)4)20(25)15-8-10-16(21)11-9-15/h8-11H,6-7,12H2,1-5H3
InChIKeyNDXFFHVUSYMCOZ-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.05
Rot. Bonds7

About 1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone

1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone (PubChem CID 10618556) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone.

Molecular Properties

Compound Name1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone
PubChem CID10618556
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)c1c(C)c(C(=O)c2ccc(Cl)cc2)n(C)c1C
InChIInChI=1S/C20H25ClN2O2/c1-6-23(7-2)12-17(24)18-13(3)19(22(5)14(18)4)20(25)15-8-10-16(21)11-9-15/h8-11H,6-7,12H2,1-5H3
InChIKeyNDXFFHVUSYMCOZ-UHFFFAOYSA-N
XLogP4.05
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone?
The IUPAC name of 1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone (CID 10618556) is 1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone.
What is the SMILES notation for 1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone?
The canonical SMILES for 1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone is CCN(CC)CC(=O)c1c(C)c(C(=O)c2ccc(Cl)cc2)n(C)c1C.
What is the InChIKey of 1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone?
The InChIKey is NDXFFHVUSYMCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-6-23(7-2)12-17(24)18-13(3)19(22(5)14(18)4)20(25)15-8-10-16(21)11-9-15/h8-11H,6-7,12H2,1-5H3.
What are the key properties of 1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone?
1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone has a molecular weight of 360.89 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorobenzoyl)-1,2,4-trimethylpyrrol-3-yl]-2-(diethylamino)ethanone is sourced from PubChem (CID 10618556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).