3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one

C13H16Cl2N2O — CID 109013396

IUPAC3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNc1ccc(Cl)cc1Cl)N1CCCC1
InChIInChI=1S/C13H16Cl2N2O/c14-10-3-4-12(11(15)9-10)16-6-5-13(18)17-7-1-2-8-17/h3-4,9,16H,1-2,5-8H2
InChIKeyQVBAOYLQYZYTKD-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.42
Rot. Bonds4

About 3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one

3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 109013396) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID109013396
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNc1ccc(Cl)cc1Cl)N1CCCC1
InChIInChI=1S/C13H16Cl2N2O/c14-10-3-4-12(11(15)9-10)16-6-5-13(18)17-7-1-2-8-17/h3-4,9,16H,1-2,5-8H2
InChIKeyQVBAOYLQYZYTKD-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[3-(2,4-dichloroanilino)propanoyl]piperazine-1-carboxylate
CID 109029107
3-(2,4-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029884
1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one
CID 75418068
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013913
1-[2-(2,4-dichloroanilino)acetyl]piperidine-4-carboxylic acid
CID 103232277
3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 81301122
2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline
CID 54806085
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013832

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one (CID 109013396) is 3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCNc1ccc(Cl)cc1Cl)N1CCCC1.
What is the InChIKey of 3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QVBAOYLQYZYTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-10-3-4-12(11(15)9-10)16-6-5-13(18)17-7-1-2-8-17/h3-4,9,16H,1-2,5-8H2.
What are the key properties of 3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one?
3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 287.19 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 109013396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).