(3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone

C18H18ClNO — CID 95974609

IUPAC(3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
SMILESC[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClNO/c1-13-17(14-6-3-2-4-7-14)10-11-20(13)18(21)15-8-5-9-16(19)12-15/h2-9,12-13,17H,10-11H2,1H3/t13-,17-/m0/s1
InChIKeyQJFWYFZVQFKSMV-GUYCJALGSA-N
MW299.80 g/mol
LogP4.36
Rot. Bonds2

About (3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone

(3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone (PubChem CID 95974609) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is (3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
PubChem CID95974609
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC Name(3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
SMILESC[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClNO/c1-13-17(14-6-3-2-4-7-14)10-11-20(13)18(21)15-8-5-9-16(19)12-15/h2-9,12-13,17H,10-11H2,1H3/t13-,17-/m0/s1
InChIKeyQJFWYFZVQFKSMV-GUYCJALGSA-N
XLogP4.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)phenoxy]acetic acid
CID 119186874
1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
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(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
(3S,4R)-1-(3-chlorobenzoyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 166330987
6-(2-methyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 119186871
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
CID 102787642
3-(2-methyl-3-phenylpyrrolidine-1-carbonyl)-5-nitrobenzoic acid
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(3-chlorophenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331531
(3-chlorophenyl)-[(3R,4S)-3-phenyl-4-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]methanone
CID 102020263
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
[(3aS,6aR)-1-[2-(dimethylamino)ethyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(3-chlorophenyl)methanone
CID 125182939
(3-chlorophenyl)-[1-[2-(dimethylamino)ethyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]methanone
CID 118752972

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone (CID 95974609) is (3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone is C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone?
The InChIKey is QJFWYFZVQFKSMV-GUYCJALGSA-N. The full InChI is InChI=1S/C18H18ClNO/c1-13-17(14-6-3-2-4-7-14)10-11-20(13)18(21)15-8-5-9-16(19)12-15/h2-9,12-13,17H,10-11H2,1H3/t13-,17-/m0/s1.
What are the key properties of (3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone?
(3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone has a molecular weight of 299.80 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(2S,3R)-2-methyl-3-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95974609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).