(3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone

C20H17Cl2NO — CID 5083003

IUPAC(3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone
SMILESO=C(C1=C(N2CCCC2)Cc2ccccc21)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2NO/c21-16-8-7-14(11-17(16)22)20(24)19-15-6-2-1-5-13(15)12-18(19)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12H2
InChIKeyOJVWFKHBXHTDIL-UHFFFAOYSA-N
MW358.27 g/mol
LogP5.24
Rot. Bonds3

About (3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone

(3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone (PubChem CID 5083003) has the molecular formula C20H17Cl2NO and a molecular weight of 358.27 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone
PubChem CID5083003
Molecular FormulaC20H17Cl2NO
Molecular Weight358.27 g/mol
Exact Mass357.07
IUPAC Name(3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone
SMILESO=C(C1=C(N2CCCC2)Cc2ccccc21)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H17Cl2NO/c21-16-8-7-14(11-17(16)22)20(24)19-15-6-2-1-5-13(15)12-18(19)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12H2
InChIKeyOJVWFKHBXHTDIL-UHFFFAOYSA-N
XLogP5.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.27
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_ene_B(4)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-3-(2-pyrrolidin-1-yl-3H-inden-1-yl)prop-2-en-1-one
CID 4140745
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
3,4-dichloro-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 960458
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356
1-(3-methyl-1H-inden-2-yl)piperidine
CID 21499137
(3-chloro-4-pyrrolidin-1-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 131917647
(3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191035
2-chloro-3-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]naphthalene-1,4-dione
CID 1282325
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
(3,4-dichlorophenyl)-[2-(1H-imidazol-2-yl)phenyl]methanone
CID 3042992
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
(3,4-dichlorophenyl)-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)methanone
CID 67902850

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone (CID 5083003) is (3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone is O=C(C1=C(N2CCCC2)Cc2ccccc21)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone?
The InChIKey is OJVWFKHBXHTDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO/c21-16-8-7-14(11-17(16)22)20(24)19-15-6-2-1-5-13(15)12-18(19)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12H2.
What are the key properties of (3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone?
(3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone has a molecular weight of 358.27 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(2-pyrrolidin-1-yl-3H-inden-1-yl)methanone is sourced from PubChem (CID 5083003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).