N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide

C15H14FN3O — CID 89157968

IUPACN-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide
SMILESNc1ccccc1NC(=O)N1Cc2cccc(F)c2C1
InChIInChI=1S/C15H14FN3O/c16-12-5-3-4-10-8-19(9-11(10)12)15(20)18-14-7-2-1-6-13(14)17/h1-7H,8-9,17H2,(H,18,20)
InChIKeyONGYUGHLHQFTGT-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.96
Rot. Bonds1

About N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide

N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide (PubChem CID 89157968) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide
PubChem CID89157968
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC NameN-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide
SMILESNc1ccccc1NC(=O)N1Cc2cccc(F)c2C1
InChIInChI=1S/C15H14FN3O/c16-12-5-3-4-10-8-19(9-11(10)12)15(20)18-14-7-2-1-6-13(14)17/h1-7H,8-9,17H2,(H,18,20)
InChIKeyONGYUGHLHQFTGT-UHFFFAOYSA-N
XLogP2.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.96
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-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 89183254
ethene;methyl 4-fluoro-1,3-dihydroisoindole-2-carboxylate
CID 143812546
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
N-(2,3-dimethylphenyl)-1,3-dihydroisoindole-2-carboxamide
CID 123680742
N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide
CID 81310935
N-(2,5-difluoro-4-methylphenyl)-1,3-dihydroisoindole-2-carboxamide
CID 167772232
2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid
CID 62230167
N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 90585516
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
ethane;4-fluoro-2-prop-1-en-2-yl-1,3-dihydroisoindole
CID 143037628
N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide
CID 75433885
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030879

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide (CID 89157968) is N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide is Nc1ccccc1NC(=O)N1Cc2cccc(F)c2C1.
What is the InChIKey of N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is ONGYUGHLHQFTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-12-5-3-4-10-8-19(9-11(10)12)15(20)18-14-7-2-1-6-13(14)17/h1-7H,8-9,17H2,(H,18,20).
What are the key properties of N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide?
N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 271.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 89157968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).