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

C16H13F2NO — CID 107123674

IUPAC(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESNc1cc(F)cc(C(=O)c2ccc3c(c2)CCC3)c1F
InChIInChI=1S/C16H13F2NO/c17-12-7-13(15(18)14(19)8-12)16(20)11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3,19H2
InChIKeyBOJPHZCDNPWQJG-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.27
Rot. Bonds2

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

(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone (PubChem CID 107123674) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is (3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
PubChem CID107123674
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESNc1cc(F)cc(C(=O)c2ccc3c(c2)CCC3)c1F
InChIInChI=1S/C16H13F2NO/c17-12-7-13(15(18)14(19)8-12)16(20)11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3,19H2
InChIKeyBOJPHZCDNPWQJG-UHFFFAOYSA-N
XLogP3.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.27
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

(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43338923
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone
CID 113399939
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877016
(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 107123644
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanone
CID 43338936
(2,3-difluorophenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 62649815
(3-amino-5-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107874132
2,3-dihydro-1H-inden-5-yl-(4-fluoro-1H-indol-3-yl)methanone
CID 82782504
(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107979596
2,3-dihydro-1H-inden-5-yl(naphthalen-2-yl)methanone
CID 43338934
2,3-dihydro-1H-inden-5-yl-(2-methoxyphenyl)methanone
CID 43338938
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The IUPAC name of (3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone (CID 107123674) is (3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone.
What is the SMILES notation for (3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The canonical SMILES for (3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone is Nc1cc(F)cc(C(=O)c2ccc3c(c2)CCC3)c1F.
What is the InChIKey of (3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
The InChIKey is BOJPHZCDNPWQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-12-7-13(15(18)14(19)8-12)16(20)11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3,19H2.
What are the key properties of (3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone?
(3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone has a molecular weight of 273.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone is sourced from PubChem (CID 107123674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).