6-chloro-2-phenyl-3H-isoindol-1-one

C14H10ClNO — CID 156790254

IUPAC6-chloro-2-phenyl-3H-isoindol-1-one
SMILESO=C1c2cc(Cl)ccc2CN1c1ccccc1
InChIInChI=1S/C14H10ClNO/c15-11-7-6-10-9-16(14(17)13(10)8-11)12-4-2-1-3-5-12/h1-8H,9H2
InChIKeyUSCOOLFBBINMHJ-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.50
Rot. Bonds1

About 6-chloro-2-phenyl-3H-isoindol-1-one

6-chloro-2-phenyl-3H-isoindol-1-one (PubChem CID 156790254) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 6-chloro-2-phenyl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-chloro-2-phenyl-3H-isoindol-1-one
PubChem CID156790254
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name6-chloro-2-phenyl-3H-isoindol-1-one
SMILESO=C1c2cc(Cl)ccc2CN1c1ccccc1
InChIInChI=1S/C14H10ClNO/c15-11-7-6-10-9-16(14(17)13(10)8-11)12-4-2-1-3-5-12/h1-8H,9H2
InChIKeyUSCOOLFBBINMHJ-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-amino-2-(3-chlorophenyl)-3H-isoindol-1-one
CID 82165712
6-chloro-2-iodo-3H-isoindol-1-one
CID 130250910
2,4-dichloro-N-(1-oxo-2-phenyl-3H-isoindol-5-yl)benzamide
CID 142925205
6-chloro-2-(1,2-dimethylindol-6-yl)-3H-isoindol-1-one
CID 59543256
6-chloro-2-propan-2-yl-3H-isoindol-1-one
CID 126654239
2-benzyl-6-chloro-1,3-dihydroisoquinolin-4-one
CID 13272466
1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one
CID 58188724
5-chloro-2-[3-(2-hydroxyethyl)phenyl]-3H-isoindol-1-one
CID 139350554
2-[3-[4-chloro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-3-oxo-1H-isoindole-5-carbaldehyde
CID 165410922
6-amino-2-(3-bromophenyl)-3H-isoindol-1-one
CID 82165752
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 168517450
2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-3H-isoindol-1-one?
The IUPAC name of 6-chloro-2-phenyl-3H-isoindol-1-one (CID 156790254) is 6-chloro-2-phenyl-3H-isoindol-1-one.
What is the SMILES notation for 6-chloro-2-phenyl-3H-isoindol-1-one?
The canonical SMILES for 6-chloro-2-phenyl-3H-isoindol-1-one is O=C1c2cc(Cl)ccc2CN1c1ccccc1.
What is the InChIKey of 6-chloro-2-phenyl-3H-isoindol-1-one?
The InChIKey is USCOOLFBBINMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-11-7-6-10-9-16(14(17)13(10)8-11)12-4-2-1-3-5-12/h1-8H,9H2.
What are the key properties of 6-chloro-2-phenyl-3H-isoindol-1-one?
6-chloro-2-phenyl-3H-isoindol-1-one has a molecular weight of 243.69 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-3H-isoindol-1-one is sourced from PubChem (CID 156790254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).