2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione

C18H23ClN2O2 — CID 102277832

IUPAC2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione
SMILESO=C(CC(C(=O)N1CCCC1)c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C18H23ClN2O2/c19-15-7-5-14(6-8-15)16(18(23)21-11-3-4-12-21)13-17(22)20-9-1-2-10-20/h5-8,16H,1-4,9-13H2
InChIKeyBBNJTHBHSLCOOM-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.06
Rot. Bonds4

About 2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione

2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione (PubChem CID 102277832) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione
PubChem CID102277832
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione
SMILESO=C(CC(C(=O)N1CCCC1)c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C18H23ClN2O2/c19-15-7-5-14(6-8-15)16(18(23)21-11-3-4-12-21)13-17(22)20-9-1-2-10-20/h5-8,16H,1-4,9-13H2
InChIKeyBBNJTHBHSLCOOM-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-2-(4-chlorophenyl)-1-piperidin-1-ylethanone
CID 55047963
(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 24759914
2-(4-chlorophenyl)-4-morpholin-4-yl-1-phenylbutane-1,4-dione
CID 11405651
3-(4-chlorophenyl)-4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide
CID 110312179
2-[1-(4-chlorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115576764
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
4-(4-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylbutan-1-one
CID 60629339
2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60672436
2-(4-chlorophenyl)-4-methyl-1-pyrrolidin-1-ylpentan-3-one
CID 59670883
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione?
The IUPAC name of 2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione (CID 102277832) is 2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione?
The canonical SMILES for 2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione is O=C(CC(C(=O)N1CCCC1)c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione?
The InChIKey is BBNJTHBHSLCOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c19-15-7-5-14(6-8-15)16(18(23)21-11-3-4-12-21)13-17(22)20-9-1-2-10-20/h5-8,16H,1-4,9-13H2.
What are the key properties of 2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione?
2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione has a molecular weight of 334.85 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,4-dipyrrolidin-1-ylbutane-1,4-dione is sourced from PubChem (CID 102277832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).