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

C15H11BrClNO — CID 172876012

IUPAC(4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)N1Cc2cccc(Br)c2C1
InChIInChI=1S/C15H11BrClNO/c16-13-6-3-4-10-8-18(9-12(10)13)15(19)11-5-1-2-7-14(11)17/h1-7H,8-9H2
InChIKeyURNKRYQUWGFFOO-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.26
Rot. Bonds1

About (4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone

(4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone (PubChem CID 172876012) has the molecular formula C15H11BrClNO and a molecular weight of 336.62 g/mol. Its IUPAC name is (4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone
PubChem CID172876012
Molecular FormulaC15H11BrClNO
Molecular Weight336.62 g/mol
Exact Mass334.97
IUPAC Name(4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)N1Cc2cccc(Br)c2C1
InChIInChI=1S/C15H11BrClNO/c16-13-6-3-4-10-8-18(9-12(10)13)15(19)11-5-1-2-7-14(11)17/h1-7H,8-9H2
InChIKeyURNKRYQUWGFFOO-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

(4-bromo-1,3-dihydroisoindol-2-yl)-(2-fluorophenyl)methanone
CID 172876011
(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110472967
5-bromo-N-(2-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 170835790
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-bromo-2-chlorophenyl)methanone
CID 114522724
(2-amino-3-chlorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 115540672
(3R)-1-(4-bromo-1,3-dihydroisoindol-2-yl)-3-hydroxy-3-phenylpropan-1-one
CID 124619379
5-(4-chloro-1,3-dihydroisoindole-2-carbonyl)-2-hydroxybenzoic acid
CID 170966642
(2-chlorophenyl)-(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
CID 112536715
(2-bromophenyl)-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19327543
5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 128960292
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
[6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
CID 133309019

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone?
The IUPAC name of (4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone (CID 172876012) is (4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone?
The canonical SMILES for (4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone is O=C(c1ccccc1Cl)N1Cc2cccc(Br)c2C1.
What is the InChIKey of (4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone?
The InChIKey is URNKRYQUWGFFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO/c16-13-6-3-4-10-8-18(9-12(10)13)15(19)11-5-1-2-7-14(11)17/h1-7H,8-9H2.
What are the key properties of (4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone?
(4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)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 (4-bromo-1,3-dihydroisoindol-2-yl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 172876012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).