5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide

C27H22Br2F6N2O — CID 165097996

IUPAC5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESNC1CCc2cc(Br)ccc21.O=C(NC1CCc2cc(Br)ccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H12BrF6NO.C9H10BrN/c19-13-2-3-14-9(7-13)1-4-15(14)26-16(27)10-5-11(17(20,21)22)8-12(6-10)18(23,24)25;10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5-8,15H,1,4H2,(H,26,27);2-3,5,9H,1,4,11H2
InChIKeyXVLMDCXJMKANBU-UHFFFAOYSA-N
MW664.28 g/mol
LogP8.30
Rot. Bonds2

About 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide

5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 165097996) has the molecular formula C27H22Br2F6N2O and a molecular weight of 664.28 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID165097996
Molecular FormulaC27H22Br2F6N2O
Molecular Weight664.28 g/mol
Exact Mass662.00
IUPAC Name5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide
SMILESNC1CCc2cc(Br)ccc21.O=C(NC1CCc2cc(Br)ccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H12BrF6NO.C9H10BrN/c19-13-2-3-14-9(7-13)1-4-15(14)26-16(27)10-5-11(17(20,21)22)8-12(6-10)18(23,24)25;10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5-8,15H,1,4H2,(H,26,27);2-3,5,9H,1,4,11H2
InChIKeyXVLMDCXJMKANBU-UHFFFAOYSA-N
XLogP8.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.28
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide (CID 165097996) is 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide is NC1CCc2cc(Br)ccc21.O=C(NC1CCc2cc(Br)ccc21)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is XVLMDCXJMKANBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF6NO.C9H10BrN/c19-13-2-3-14-9(7-13)1-4-15(14)26-16(27)10-5-11(17(20,21)22)8-12(6-10)18(23,24)25;10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5-8,15H,1,4H2,(H,26,27);2-3,5,9H,1,4,11H2.
What are the key properties of 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide?
5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 664.28 g/mol, XLogP of 8.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydro-1H-inden-1-amine;N-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 165097996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).