2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione

C19H15ClN2O3 — CID 168517524

IUPAC2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione
SMILESO=C(c1ccc(Cl)c(N2C(=O)c3ccccc3C2=O)c1)N1CCCC1
InChIInChI=1S/C19H15ClN2O3/c20-15-8-7-12(17(23)21-9-3-4-10-21)11-16(15)22-18(24)13-5-1-2-6-14(13)19(22)25/h1-2,5-8,11H,3-4,9-10H2
InChIKeyRFPYKNFQLDETGA-UHFFFAOYSA-N
MW354.79 g/mol
LogP3.38
Rot. Bonds2

About 2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione

2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione (PubChem CID 168517524) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione
PubChem CID168517524
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione
SMILESO=C(c1ccc(Cl)c(N2C(=O)c3ccccc3C2=O)c1)N1CCCC1
InChIInChI=1S/C19H15ClN2O3/c20-15-8-7-12(17(23)21-9-3-4-10-21)11-16(15)22-18(24)13-5-1-2-6-14(13)19(22)25/h1-2,5-8,11H,3-4,9-10H2
InChIKeyRFPYKNFQLDETGA-UHFFFAOYSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 4-chloro-3-(1,3-dioxoisoindol-2-yl)benzoate
CID 168516562
5-[(2-chlorophenyl)methyl]-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one
CID 5204553
4-chloro-3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)benzamide
CID 2226714
azocan-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841525
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
4-chloro-3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)benzoic acid
CID 60998970
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
[2,4-dichloro-5-(1,3-dioxoisoindol-2-yl)phenyl]boronic acid
CID 168517976
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
1-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]pyrrolidin-2-one
CID 17474999
5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-2-propan-2-ylisoindole-1,3-dione
CID 108534422

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione (CID 168517524) is 2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione is O=C(c1ccc(Cl)c(N2C(=O)c3ccccc3C2=O)c1)N1CCCC1.
What is the InChIKey of 2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione?
The InChIKey is RFPYKNFQLDETGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c20-15-8-7-12(17(23)21-9-3-4-10-21)11-16(15)22-18(24)13-5-1-2-6-14(13)19(22)25/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione?
2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione has a molecular weight of 354.79 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168517524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).