2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile

C16H12FN3 — CID 115146393

IUPAC2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile
SMILESN#Cc1c(NCc2cccc(F)c2)[nH]c2ccccc12
InChIInChI=1S/C16H12FN3/c17-12-5-3-4-11(8-12)10-19-16-14(9-18)13-6-1-2-7-15(13)20-16/h1-8,19-20H,10H2
InChIKeyYYFDQUHKWAIYBY-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.79
Rot. Bonds3

About 2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile

2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile (PubChem CID 115146393) has the molecular formula C16H12FN3 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile
PubChem CID115146393
Molecular FormulaC16H12FN3
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile
SMILESN#Cc1c(NCc2cccc(F)c2)[nH]c2ccccc12
InChIInChI=1S/C16H12FN3/c17-12-5-3-4-11(8-12)10-19-16-14(9-18)13-6-1-2-7-15(13)20-16/h1-8,19-20H,10H2
InChIKeyYYFDQUHKWAIYBY-UHFFFAOYSA-N
XLogP3.79
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methylthiophen-2-yl)methylamino]-1H-indole-3-carbonitrile
CID 115146404
2-(oxan-4-ylmethylamino)-1H-indole-3-carbonitrile
CID 115146398
4-(1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]aniline
CID 171679896
5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile
CID 80508640
2-[4-(3-fluorophenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole-3-carbonitrile
CID 22398514
N-[(3-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54693788
2-(thiophen-2-ylamino)-1H-indole-3-carbonitrile
CID 115146330
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 28970511
6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 43723400
N-[(3-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-5,6-dihydrofuro[2,3-d]pyrimidin-4-amine
CID 155068287
2-(3-fluorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085706

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile?
The IUPAC name of 2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile (CID 115146393) is 2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile?
The canonical SMILES for 2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile is N#Cc1c(NCc2cccc(F)c2)[nH]c2ccccc12.
What is the InChIKey of 2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile?
The InChIKey is YYFDQUHKWAIYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3/c17-12-5-3-4-11(8-12)10-19-16-14(9-18)13-6-1-2-7-15(13)20-16/h1-8,19-20H,10H2.
What are the key properties of 2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile?
2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile has a molecular weight of 265.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylamino]-1H-indole-3-carbonitrile is sourced from PubChem (CID 115146393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).