2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone

C14H18ClNO — CID 116570367

IUPAC2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
SMILESCCC1(C(=O)Cc2ccccc2Cl)CCNC1
InChIInChI=1S/C14H18ClNO/c1-2-14(7-8-16-10-14)13(17)9-11-5-3-4-6-12(11)15/h3-6,16H,2,7-10H2,1H3
InChIKeyJEEGYHQRDDALEZ-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.84
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone

2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone (PubChem CID 116570367) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
PubChem CID116570367
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
SMILESCCC1(C(=O)Cc2ccccc2Cl)CCNC1
InChIInChI=1S/C14H18ClNO/c1-2-14(7-8-16-10-14)13(17)9-11-5-3-4-6-12(11)15/h3-6,16H,2,7-10H2,1H3
InChIKeyJEEGYHQRDDALEZ-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569209
2-(2-chloro-4-fluorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570337
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568506
1-(3-ethylpyrrolidin-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116570400
2-(3-chloro-2-fluorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 102865090
1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone
CID 116570374
3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 63140580
2-(2-chlorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 62881925
2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569084
N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63140593
2-[2-[(3-ethylpyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 63142475

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone (CID 116570367) is 2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone is CCC1(C(=O)Cc2ccccc2Cl)CCNC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone?
The InChIKey is JEEGYHQRDDALEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-2-14(7-8-16-10-14)13(17)9-11-5-3-4-6-12(11)15/h3-6,16H,2,7-10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone?
2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone has a molecular weight of 251.76 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116570367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).