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

C15H16BrF2NO — CID 162424740

IUPAC(5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone
SMILESO=C(C1CCC(F)(F)CC1)N1Cc2ccc(Br)cc2C1
InChIInChI=1S/C15H16BrF2NO/c16-13-2-1-11-8-19(9-12(11)7-13)14(20)10-3-5-15(17,18)6-4-10/h1-2,7,10H,3-6,8-9H2
InChIKeyJLQKFBOSAUVHEG-UHFFFAOYSA-N
MW344.20 g/mol
LogP4.12
Rot. Bonds1

About (5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone

(5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone (PubChem CID 162424740) has the molecular formula C15H16BrF2NO and a molecular weight of 344.20 g/mol. Its IUPAC name is (5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone.

Molecular Properties

Compound Name(5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone
PubChem CID162424740
Molecular FormulaC15H16BrF2NO
Molecular Weight344.20 g/mol
Exact Mass343.04
IUPAC Name(5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone
SMILESO=C(C1CCC(F)(F)CC1)N1Cc2ccc(Br)cc2C1
InChIInChI=1S/C15H16BrF2NO/c16-13-2-1-11-8-19(9-12(11)7-13)14(20)10-3-5-15(17,18)6-4-10/h1-2,7,10H,3-6,8-9H2
InChIKeyJLQKFBOSAUVHEG-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,3aR,7aS)-2-benzyl-3-(3-bromophenyl)-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16060138
(3R,3aS,7R,7aS)-2-benzyl-3-(4-bromo-2-fluorophenyl)-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746374
(3R,3aS,7R,7aS)-2-benzyl-3-(3-bromo-4-fluorophenyl)-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16746376
(3R,3aR,7R,7aS)-2-benzyl-3-(3-bromophenyl)-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16060125
5-Bromo-2-methyl-2,3-dihydro-1H-isoindol-1-one
CID 23158169
6-bromo-2-methyl-2,3-dihydro-1H-isoindol-1-one
CID 46942008
5-bromo-2-[(1S)-1-cyclopropylethyl]-7-fluoro-3H-isoindol-1-one
CID 155368728
4-bromo-N-isobutylphthalimide
CID 840420
2-Benzyl-5-bromoisoindoline-1,3-dione
CID 2259945
5-Bromo-2-hexylbenzo[c]azoline-1,3-dione
CID 2274432
2-benzyl-3-(3-bromo-4-fluorophenyl)-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 24868066
2-[(2R)-2-(4-bromophenyl)-4,4-difluorobut-3-enyl]isoindole-1,3-dione
CID 168334812

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone?
The IUPAC name of (5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone (CID 162424740) is (5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone.
What is the SMILES notation for (5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone?
The canonical SMILES for (5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone is O=C(C1CCC(F)(F)CC1)N1Cc2ccc(Br)cc2C1.
What is the InChIKey of (5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone?
The InChIKey is JLQKFBOSAUVHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF2NO/c16-13-2-1-11-8-19(9-12(11)7-13)14(20)10-3-5-15(17,18)6-4-10/h1-2,7,10H,3-6,8-9H2.
What are the key properties of (5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone?
(5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone has a molecular weight of 344.20 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1,3-dihydroisoindol-2-yl)-(4,4-difluorocyclohexyl)methanone is sourced from PubChem (CID 162424740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).