(3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone

C11H11Cl2NO — CID 669316

IUPAC(3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C11H11Cl2NO/c12-9-4-3-8(7-10(9)13)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyXQWRTAOXCSSTBB-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.23
Rot. Bonds1

About (3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone

(3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 669316) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone
PubChem CID669316
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name(3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C11H11Cl2NO/c12-9-4-3-8(7-10(9)13)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyXQWRTAOXCSSTBB-UHFFFAOYSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

U-47700
CID 71719125
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
4-Chloro-N,N-dimethylbenzamide
CID 84180
PF-184298
CID 11392888
1-(4-Chlorobenzoyl)-4-methylpiperazine
CID 792974
2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 4545429
N-butyl-4-chloro-N-ethylbenzamide
CID 2164652
3,4-dichloro-N-propylbenzamide
CID 346715
Fake morphine
CID 13544016
N-Benzyl-4-chloro-N-methylbenzamide
CID 306478
3,4-dichloro-N-(pentan-2-yl)benzamide
CID 346721
N-Butyl-3-chlorobenzamide
CID 3552304

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone (CID 669316) is (3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCCC1.
What is the InChIKey of (3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is XQWRTAOXCSSTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c12-9-4-3-8(7-10(9)13)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2.
What are the key properties of (3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone?
(3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 244.12 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 669316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).