N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide

C16H15FN2O — CID 81314550

IUPACN-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESNc1cccc(F)c1NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H15FN2O/c17-13-5-2-6-14(18)15(13)19-16(20)12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4,18H2,(H,19,20)
InChIKeyDVAUWRLJRPVAFD-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.15
Rot. Bonds2

About N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 81314550) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID81314550
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC NameN-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESNc1cccc(F)c1NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H15FN2O/c17-13-5-2-6-14(18)15(13)19-16(20)12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4,18H2,(H,19,20)
InChIKeyDVAUWRLJRPVAFD-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide
CID 81314531
N-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 81315291
N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 81315195
N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43548027
N-(5-amino-2-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18071479
N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997882
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide
CID 63187596
N-(2-amino-6-fluorophenyl)-4-ethylbenzamide
CID 81313700
N-(2-amino-6-fluorophenyl)-3-bromo-5-fluorobenzamide
CID 81313883
N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9402797
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9100118

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 81314550) is N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide is Nc1cccc(F)c1NC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is DVAUWRLJRPVAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-13-5-2-6-14(18)15(13)19-16(20)12-8-7-10-3-1-4-11(10)9-12/h2,5-9H,1,3-4,18H2,(H,19,20).
What are the key properties of N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 81314550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).