2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone

C17H20Cl2N2O — CID 110654145

IUPAC2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CNc2cc(Cl)ccc2Cl)c(C)n1C(C)C
InChIInChI=1S/C17H20Cl2N2O/c1-10(2)21-11(3)7-14(12(21)4)17(22)9-20-16-8-13(18)5-6-15(16)19/h5-8,10,20H,9H2,1-4H3
InChIKeyMSEVONMNEAUPPG-UHFFFAOYSA-N
MW339.27 g/mol
LogP5.29
Rot. Bonds5

About 2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone

2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone (PubChem CID 110654145) has the molecular formula C17H20Cl2N2O and a molecular weight of 339.27 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
PubChem CID110654145
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.27 g/mol
Exact Mass338.10
IUPAC Name2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CNc2cc(Cl)ccc2Cl)c(C)n1C(C)C
InChIInChI=1S/C17H20Cl2N2O/c1-10(2)21-11(3)7-14(12(21)4)17(22)9-20-16-8-13(18)5-6-15(16)19/h5-8,10,20H,9H2,1-4H3
InChIKeyMSEVONMNEAUPPG-UHFFFAOYSA-N
XLogP5.29
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.27
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654146
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone
CID 110654070
2-(2-tert-butylanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654078
2-(3,5-dimethylanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654067
2-(2,4-dimethoxyanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654104
2-[4-(diethylamino)-2-methylanilino]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654151
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110654010
N-[4-[[2-(2,5-dichloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54819782
2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653903
1-(4-bromophenyl)-2-(2,5-dichloroanilino)ethanone
CID 110823626
2-(5-chloro-2-methoxyanilino)-1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110654644
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone (CID 110654145) is 2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone is Cc1cc(C(=O)CNc2cc(Cl)ccc2Cl)c(C)n1C(C)C.
What is the InChIKey of 2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone?
The InChIKey is MSEVONMNEAUPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O/c1-10(2)21-11(3)7-14(12(21)4)17(22)9-20-16-8-13(18)5-6-15(16)19/h5-8,10,20H,9H2,1-4H3.
What are the key properties of 2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone?
2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone has a molecular weight of 339.27 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone is sourced from PubChem (CID 110654145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).