2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C15H17ClN2O — CID 110653903

IUPAC2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CNc2ccc(Cl)cc2)c(C)n1C
InChIInChI=1S/C15H17ClN2O/c1-10-8-14(11(2)18(10)3)15(19)9-17-13-6-4-12(16)5-7-13/h4-8,17H,9H2,1-3H3
InChIKeyIZQQHSSMWGEOJW-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.59
Rot. Bonds4

About 2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 110653903) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID110653903
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CNc2ccc(Cl)cc2)c(C)n1C
InChIInChI=1S/C15H17ClN2O/c1-10-8-14(11(2)18(10)3)15(19)9-17-13-6-4-12(16)5-7-13/h4-8,17H,9H2,1-3H3
InChIKeyIZQQHSSMWGEOJW-UHFFFAOYSA-N
XLogP3.59
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-chlorophenyl)methoxy]anilino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653963
2-(4-chloroanilino)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 110654783
2-(2-tert-butylanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653897
2-(3,5-dichloroanilino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654146
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(4-propan-2-ylanilino)ethanone
CID 110654271
2-(propylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653820
2-(3,5-dichlorophenoxy)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60623947
N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691270
N-(4-chlorophenyl)-4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazine-1-carboxamide
CID 110812798
2-(3-chloro-4-fluoroanilino)-1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110654642
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-(4-chlorophenyl)prop-2-enoate
CID 4311119
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 16517930

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 110653903) is 2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)CNc2ccc(Cl)cc2)c(C)n1C.
What is the InChIKey of 2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is IZQQHSSMWGEOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-8-14(11(2)18(10)3)15(19)9-17-13-6-4-12(16)5-7-13/h4-8,17H,9H2,1-3H3.
What are the key properties of 2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 276.77 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 110653903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).