N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide

C17H18FN3O — CID 16792940

IUPACN-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(N)c1)N1CCc2ccccc21
InChIInChI=1S/C17H18FN3O/c1-11(21-9-8-12-4-2-3-5-16(12)21)17(22)20-13-6-7-14(18)15(19)10-13/h2-7,10-11H,8-9,19H2,1H3,(H,20,22)
InChIKeyIQRBMVUVLQHEIR-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.80
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide

N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide (PubChem CID 16792940) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
PubChem CID16792940
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(N)c1)N1CCc2ccccc21
InChIInChI=1S/C17H18FN3O/c1-11(21-9-8-12-4-2-3-5-16(12)21)17(22)20-13-6-7-14(18)15(19)10-13/h2-7,10-11H,8-9,19H2,1H3,(H,20,22)
InChIKeyIQRBMVUVLQHEIR-UHFFFAOYSA-N
XLogP2.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)propanamide
CID 8704324
(2R)-N-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 8704432
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)propanamide
CID 8704291
(2R)-N-(4-chloro-2-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 9432138
(2S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(2,3-dihydroindol-1-yl)propanamide
CID 9432032
(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9432096
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9432229
(2R)-2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7998746
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 8686429
(2S)-2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2091402
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 8704347
2-(2,3-dihydroindol-1-yl)-N-[4-(methanesulfonamidomethyl)phenyl]propanamide
CID 75494168

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide (CID 16792940) is N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide is CC(C(=O)Nc1ccc(F)c(N)c1)N1CCc2ccccc21.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide?
The InChIKey is IQRBMVUVLQHEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-11(21-9-8-12-4-2-3-5-16(12)21)17(22)20-13-6-7-14(18)15(19)10-13/h2-7,10-11H,8-9,19H2,1H3,(H,20,22).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide?
N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide has a molecular weight of 299.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide is sourced from PubChem (CID 16792940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).