4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one

C14H10ClNO — CID 172769018

IUPAC4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cccc2-c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO/c15-10-6-4-9(5-7-10)11-2-1-3-12-13(11)8-16-14(12)17/h1-7H,8H2,(H,16,17)
InChIKeyMRVLEFBBFFTVRY-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.25
Rot. Bonds1

About 4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one

4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one (PubChem CID 172769018) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one
PubChem CID172769018
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cccc2-c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO/c15-10-6-4-9(5-7-10)11-2-1-3-12-13(11)8-16-14(12)17/h1-7H,8H2,(H,16,17)
InChIKeyMRVLEFBBFFTVRY-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 11372347
4-thiophen-3-yl-2,3-dihydroisoindol-1-one
CID 175996469
4-(furan-3-yl)-2,3-dihydroisoindol-1-one
CID 175996463
1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]-3-phenylurea
CID 5329877
4-(1-oxo-2,3-dihydroisoindol-4-yl)benzene-1,2-dicarbonitrile
CID 176572037
1-[2-chloro-4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]-1-(3-chlorophenyl)urea
CID 67517857
4-chloro-5-fluoro-2,3-dihydroisoindol-1-one
CID 130064723
N-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]benzenesulfonamide
CID 5329879
4-(2-methylphenyl)-2,3-dihydroisoindol-1-one
CID 172876033
4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996410
1-(3-methylphenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 5329880
1-(2-bromophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 11350703

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one (CID 172769018) is 4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one is O=C1NCc2c1cccc2-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one?
The InChIKey is MRVLEFBBFFTVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-10-6-4-9(5-7-10)11-2-1-3-12-13(11)8-16-14(12)17/h1-7H,8H2,(H,16,17).
What are the key properties of 4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one?
4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one has a molecular weight of 243.69 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 172769018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).