(3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone

C20H19ClN2O — CID 113086444

IUPAC(3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC1Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H19ClN2O/c21-16-6-3-5-14(11-16)20(24)23-10-4-7-17(23)12-15-13-22-19-9-2-1-8-18(15)19/h1-3,5-6,8-9,11,13,17,22H,4,7,10,12H2
InChIKeyTZRXIWSAYNSSHC-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.67
Rot. Bonds3

About (3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone

(3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 113086444) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID113086444
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name(3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1CCCC1Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H19ClN2O/c21-16-6-3-5-14(11-16)20(24)23-10-4-7-17(23)12-15-13-22-19-9-2-1-8-18(15)19/h1-3,5-6,8-9,11,13,17,22H,4,7,10,12H2
InChIKeyTZRXIWSAYNSSHC-UHFFFAOYSA-N
XLogP4.67
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-phenylmethanone
CID 113086415
[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113086455
[3-(1H-indol-3-ylmethyl)morpholin-4-yl]-(3-pyrrolidin-1-ylphenyl)methanone
CID 138058230
(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421627
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
[3-(difluoromethoxy)phenyl]-[(3R)-3-(1H-indol-3-ylmethyl)morpholin-4-yl]methanone
CID 100713757
(3,4-difluorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
CID 113086552
3-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole
CID 113086589
3-[(1-methylsulfonylpyrrolidin-2-yl)methyl]-1H-indole
CID 113086472
2-(1H-indol-3-yl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 115316334
1-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 74004477
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone (CID 113086444) is (3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cccc(Cl)c1)N1CCCC1Cc1c[nH]c2ccccc12.
What is the InChIKey of (3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is TZRXIWSAYNSSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-16-6-3-5-14(11-16)20(24)23-10-4-7-17(23)12-15-13-22-19-9-2-1-8-18(15)19/h1-3,5-6,8-9,11,13,17,22H,4,7,10,12H2.
What are the key properties of (3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone?
(3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 338.84 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 113086444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).