(3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone

C15H11BrClNO — CID 103826910

IUPAC(3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)N1Cc2ccccc2C1
InChIInChI=1S/C15H11BrClNO/c16-13-5-12(6-14(17)7-13)15(19)18-8-10-3-1-2-4-11(10)9-18/h1-7H,8-9H2
InChIKeyOMPVPMCLEOTPGN-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.26
Rot. Bonds1

About (3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone

(3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 103826910) has the molecular formula C15H11BrClNO and a molecular weight of 336.62 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID103826910
Molecular FormulaC15H11BrClNO
Molecular Weight336.62 g/mol
Exact Mass334.97
IUPAC Name(3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESO=C(c1cc(Cl)cc(Br)c1)N1Cc2ccccc2C1
InChIInChI=1S/C15H11BrClNO/c16-13-5-12(6-14(17)7-13)15(19)18-8-10-3-1-2-4-11(10)9-18/h1-7H,8-9H2
InChIKeyOMPVPMCLEOTPGN-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62229980
(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812651
(5-amino-1,3-dihydroisoindol-2-yl)-(3,5-dibromophenyl)methanone
CID 107971057
(3-bromo-5-chlorophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314300
(3-bromo-5-chlorophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110414643
(3-bromo-5-chlorophenyl)-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 107939860
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-bromo-5-chlorophenyl)methanone
CID 103827020
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
(3-bromo-5-chlorophenyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 103827047
(3-bromo-5-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103827075
(3-bromo-5-chlorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 103827056

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone (CID 103826910) is (3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone is O=C(c1cc(Cl)cc(Br)c1)N1Cc2ccccc2C1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is OMPVPMCLEOTPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO/c16-13-5-12(6-14(17)7-13)15(19)18-8-10-3-1-2-4-11(10)9-18/h1-7H,8-9H2.
What are the key properties of (3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone?
(3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 336.62 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 103826910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).