(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone

C17H16BrNO — CID 107874132

IUPAC(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESCc1c(N)cc(Br)cc1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H16BrNO/c1-10-15(8-14(18)9-16(10)19)17(20)13-6-5-11-3-2-4-12(11)7-13/h5-9H,2-4,19H2,1H3
InChIKeyPHAVPHYUUPNILR-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.06
Rot. Bonds2

About (3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone

(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone (PubChem CID 107874132) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is (3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
PubChem CID107874132
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESCc1c(N)cc(Br)cc1C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H16BrNO/c1-10-15(8-14(18)9-16(10)19)17(20)13-6-5-11-3-2-4-12(11)7-13/h5-9H,2-4,19H2,1H3
InChIKeyPHAVPHYUUPNILR-UHFFFAOYSA-N
XLogP4.06
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107979596
(3-amino-5-bromo-2-methylphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 107874154
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone
CID 113399939
(3-amino-5-bromo-2-methylphenyl)-(4-bromo-2,5-dimethylphenyl)methanone
CID 107874173
(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43338923
(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107123674
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methanone
CID 107874214
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877016
(5-bromo-3-pyridinyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43161073
(3-bromo-5-chlorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 107949659
(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 80532389
(3-amino-5-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone
CID 107871959

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The IUPAC name of (3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone (CID 107874132) is (3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone.
What is the SMILES notation for (3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The canonical SMILES for (3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone is Cc1c(N)cc(Br)cc1C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of (3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The InChIKey is PHAVPHYUUPNILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-10-15(8-14(18)9-16(10)19)17(20)13-6-5-11-3-2-4-12(11)7-13/h5-9H,2-4,19H2,1H3.
What are the key properties of (3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone has a molecular weight of 330.23 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone is sourced from PubChem (CID 107874132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).