6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide

C16H16FN3O — CID 83210085

IUPAC6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1N)N(C(=O)Nc1ccc(F)cc1)CC2
InChIInChI=1S/C16H16FN3O/c1-10-8-11-6-7-20(15(11)9-14(10)18)16(21)19-13-4-2-12(17)3-5-13/h2-5,8-9H,6-7,18H2,1H3,(H,19,21)
InChIKeyQDBVWISLPYTTHN-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.31
Rot. Bonds1

About 6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide

6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 83210085) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID83210085
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1N)N(C(=O)Nc1ccc(F)cc1)CC2
InChIInChI=1S/C16H16FN3O/c1-10-8-11-6-7-20(15(11)9-14(10)18)16(21)19-13-4-2-12(17)3-5-13/h2-5,8-9H,6-7,18H2,1H3,(H,19,21)
InChIKeyQDBVWISLPYTTHN-UHFFFAOYSA-N
XLogP3.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.31
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

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bromo-4-fluorophenyl)methanone
CID 83209700
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
CID 83210068
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone
CID 83210072
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 83209696
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromo-2-fluorophenyl)methanone
CID 107948882
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone
CID 83213519
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 83210257
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone
CID 83209308
tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate
CID 83212361
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone
CID 83213262
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone
CID 83210260
N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide (CID 83210085) is 6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide is Cc1cc2c(cc1N)N(C(=O)Nc1ccc(F)cc1)CC2.
What is the InChIKey of 6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is QDBVWISLPYTTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-10-8-11-6-7-20(15(11)9-14(10)18)16(21)19-13-4-2-12(17)3-5-13/h2-5,8-9H,6-7,18H2,1H3,(H,19,21).
What are the key properties of 6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide?
6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 83210085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).