1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one

C14H15Cl2NO2 — CID 79541789

IUPAC1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2NO2/c1-9(18)5-13-3-2-4-17(13)14(19)10-6-11(15)8-12(16)7-10/h6-8,13H,2-5H2,1H3
InChIKeyOMMXNLRFUWYMQI-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.58
Rot. Bonds3

About 1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one

1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79541789) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is 1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79541789
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H15Cl2NO2/c1-9(18)5-13-3-2-4-17(13)14(19)10-6-11(15)8-12(16)7-10/h6-8,13H,2-5H2,1H3
InChIKeyOMMXNLRFUWYMQI-UHFFFAOYSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-bromo-5-chlorobenzoyl)pyrrolidin-2-yl]propan-2-one
CID 107939107
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541349
[2-(bromomethyl)azepan-1-yl]-(3,5-dichlorophenyl)methanone
CID 116639616
1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538788
1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 79549622
(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 107951572
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549380
1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538785
1-[1-(5-chloro-2-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79540783
(3-chloro-5-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635898
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one (CID 79541789) is 1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is OMMXNLRFUWYMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-9(18)5-13-3-2-4-17(13)14(19)10-6-11(15)8-12(16)7-10/h6-8,13H,2-5H2,1H3.
What are the key properties of 1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 300.19 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79541789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).