(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone

C15H12ClNO — CID 110472967

IUPAC(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1ccccc1Cl)N1Cc2ccccc2C1
InChIInChI=1S/C15H12ClNO/c16-14-8-4-3-7-13(14)15(18)17-9-11-5-1-2-6-12(11)10-17/h1-8H,9-10H2
InChIKeyGEQWWOMBEJDLJQ-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.50
Rot. Bonds1

About (2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone

(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 110472967) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is (2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID110472967
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1ccccc1Cl)N1Cc2ccccc2C1
InChIInChI=1S/C15H12ClNO/c16-14-8-4-3-7-13(14)15(18)17-9-11-5-1-2-6-12(11)10-17/h1-8H,9-10H2
InChIKeyGEQWWOMBEJDLJQ-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone
CID 172876012
(2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
CID 121017117
(4-chloro-2-hydroxyphenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 15942376
(2-amino-3-chlorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 115540672
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
1-(2-chlorobenzoyl)piperidin-4-one
CID 24693065
1,3-dihydroisoindol-2-yl-[2-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 62230372
3-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 91913415
(3R)-2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 2393598
(2-chlorophenyl)-(3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl)methanone
CID 53140299
[5-(2,4-dichloroanilino)-2,4-dihydroxyphenyl]-(1,3-dihydroisoindol-2-yl)methanone
CID 86294738
[2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]-morpholin-4-ylmethanone
CID 78776864

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone (CID 110472967) is (2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone is O=C(c1ccccc1Cl)N1Cc2ccccc2C1.
What is the InChIKey of (2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is GEQWWOMBEJDLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-14-8-4-3-7-13(14)15(18)17-9-11-5-1-2-6-12(11)10-17/h1-8H,9-10H2.
What are the key properties of (2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone?
(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 257.72 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 (2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 110472967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).