1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate

C14H17Cl2NO2 — CID 67128440

IUPAC1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate
SMILESCC(OC(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C14H17Cl2NO2/c1-10(17-6-2-3-7-17)19-14(18)9-11-4-5-12(15)13(16)8-11/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyKAJCBMQYEBTMPP-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.52
Rot. Bonds4

About 1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate

1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate (PubChem CID 67128440) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate
PubChem CID67128440
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate
SMILESCC(OC(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1
InChIInChI=1S/C14H17Cl2NO2/c1-10(17-6-2-3-7-17)19-14(18)9-11-4-5-12(15)13(16)8-11/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyKAJCBMQYEBTMPP-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
3-(3,4-dichlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)-1-pyrrolidin-1-ylpropan-2-one
CID 18519405
2-(3,4-dichlorophenyl)-1-[(2S)-2-[(1S)-1-pyrrolidin-1-ylethyl]piperazin-1-yl]ethanone
CID 10872328
2-(3,4-dichlorophenyl)-N-methyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]acetamide;propane
CID 160603620
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 7724829
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(3,4-dichlorophenyl)acetate
CID 7724833
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 112763003
2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 134046949
1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 134061564
methyl 2-(3,4-dichlorophenyl)acetate;methyl 2-(3,4-dichlorophenyl)propanoate
CID 160802839

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of 1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate (CID 67128440) is 1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for 1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for 1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate is CC(OC(=O)Cc1ccc(Cl)c(Cl)c1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate?
The InChIKey is KAJCBMQYEBTMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-10(17-6-2-3-7-17)19-14(18)9-11-4-5-12(15)13(16)8-11/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of 1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate?
1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate has a molecular weight of 302.20 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylethyl 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 67128440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).