[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone

C17H16ClNO — CID 61061635

IUPAC[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C17H16ClNO/c18-15-10-5-4-9-14(15)16-11-6-12-19(16)17(20)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2
InChIKeyRUSGTITXAJLIJB-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.32
Rot. Bonds2

About [2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone

[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone (PubChem CID 61061635) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is [2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
PubChem CID61061635
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C17H16ClNO/c18-15-10-5-4-9-14(15)16-11-6-12-19(16)17(20)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2
InChIKeyRUSGTITXAJLIJB-UHFFFAOYSA-N
XLogP4.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-chlorophenyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 63524414
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 67257578
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone
CID 81228562
(2-chlorofuran-3-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 106686355
azetidin-3-yl-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 124515538
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[4-[(2-methoxyphenoxy)methyl]phenyl]methanone
CID 166659093
[4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 166659086
4-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 103497807
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 51694860
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876515

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone (CID 61061635) is [2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is RUSGTITXAJLIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-15-10-5-4-9-14(15)16-11-6-12-19(16)17(20)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2.
What are the key properties of [2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone?
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 285.77 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 61061635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).