3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile

C16H10FN3O — CID 107917681

IUPAC3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(C(=O)c3ccc(N)cc3F)c[nH]c2c1
InChIInChI=1S/C16H10FN3O/c17-14-6-10(19)2-4-12(14)16(21)13-8-20-15-5-9(7-18)1-3-11(13)15/h1-6,8,20H,19H2
InChIKeyACXPGCUJKNVAFZ-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.99
Rot. Bonds2

About 3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile

3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile (PubChem CID 107917681) has the molecular formula C16H10FN3O and a molecular weight of 279.27 g/mol. Its IUPAC name is 3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile
PubChem CID107917681
Molecular FormulaC16H10FN3O
Molecular Weight279.27 g/mol
Exact Mass279.08
IUPAC Name3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(C(=O)c3ccc(N)cc3F)c[nH]c2c1
InChIInChI=1S/C16H10FN3O/c17-14-6-10(19)2-4-12(14)16(21)13-8-20-15-5-9(7-18)1-3-11(13)15/h1-6,8,20H,19H2
InChIKeyACXPGCUJKNVAFZ-UHFFFAOYSA-N
XLogP2.99
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.99
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

3-(5-amino-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107917680
3-(3,5-diaminobenzoyl)-1H-indole-6-carbonitrile
CID 107917677
3-(4-fluoro-2-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916673
3-(2-chloro-3-fluorobenzoyl)-1H-indole-6-carbonitrile
CID 107916761
3-(2-iodobenzoyl)-1H-indole-6-carbonitrile
CID 107916768
3-(4-chlorobenzoyl)-1H-indole-6-carbonitrile
CID 107916653
3-(3-fluoro-5-methylbenzoyl)-1H-indole-6-carbonitrile
CID 107916705
3-(2,3-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916755
3-(4,5-dibromothiophene-2-carbonyl)-1H-indole-6-carbonitrile
CID 107916704
3-(3,4-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916644
3-(3,5-diaminobenzoyl)-1H-indole-5-carbonitrile
CID 107920935
3-(4-methoxybenzoyl)-1H-indole-6-carbonitrile
CID 107916754

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile?
The IUPAC name of 3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile (CID 107917681) is 3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile?
The canonical SMILES for 3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile is N#Cc1ccc2c(C(=O)c3ccc(N)cc3F)c[nH]c2c1.
What is the InChIKey of 3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile?
The InChIKey is ACXPGCUJKNVAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O/c17-14-6-10(19)2-4-12(14)16(21)13-8-20-15-5-9(7-18)1-3-11(13)15/h1-6,8,20H,19H2.
What are the key properties of 3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile?
3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile has a molecular weight of 279.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-fluorobenzoyl)-1H-indole-6-carbonitrile is sourced from PubChem (CID 107917681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).