4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine

C17H16BrClFN — CID 118349277

IUPAC4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(N(C)C2CCc3c2ccc(F)c3Br)ccc1Cl
InChIInChI=1S/C17H16BrClFN/c1-10-9-11(3-6-14(10)19)21(2)16-8-5-13-12(16)4-7-15(20)17(13)18/h3-4,6-7,9,16H,5,8H2,1-2H3
InChIKeyRCYASYRLFCCRQD-UHFFFAOYSA-N
MW368.68 g/mol
LogP5.67
Rot. Bonds2

About 4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine

4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 118349277) has the molecular formula C17H16BrClFN and a molecular weight of 368.68 g/mol. Its IUPAC name is 4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID118349277
Molecular FormulaC17H16BrClFN
Molecular Weight368.68 g/mol
Exact Mass367.01
IUPAC Name4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1cc(N(C)C2CCc3c2ccc(F)c3Br)ccc1Cl
InChIInChI=1S/C17H16BrClFN/c1-10-9-11(3-6-14(10)19)21(2)16-8-5-13-12(16)4-7-15(20)17(13)18/h3-4,6-7,9,16H,5,8H2,1-2H3
InChIKeyRCYASYRLFCCRQD-UHFFFAOYSA-N
XLogP5.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 118349277) is 4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine is Cc1cc(N(C)C2CCc3c2ccc(F)c3Br)ccc1Cl.
What is the InChIKey of 4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RCYASYRLFCCRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClFN/c1-10-9-11(3-6-14(10)19)21(2)16-8-5-13-12(16)4-7-15(20)17(13)18/h3-4,6-7,9,16H,5,8H2,1-2H3.
What are the key properties of 4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 368.68 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-chloro-3-methylphenyl)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 118349277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).