2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile

C17H11FN2 — CID 5297673

IUPAC2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile
SMILESN#Cc1c(N)c(-c2ccccc2)c(F)c2ccccc12
InChIInChI=1S/C17H11FN2/c18-16-13-9-5-4-8-12(13)14(10-19)17(20)15(16)11-6-2-1-3-7-11/h1-9H,20H2
InChIKeyRLGHUSXDCHHMHX-UHFFFAOYSA-N
MW262.29 g/mol
LogP4.10
Rot. Bonds1

About 2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile

2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile (PubChem CID 5297673) has the molecular formula C17H11FN2 and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile.

Molecular Properties

Compound Name2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile
PubChem CID5297673
Molecular FormulaC17H11FN2
Molecular Weight262.29 g/mol
Exact Mass262.09
IUPAC Name2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile
SMILESN#Cc1c(N)c(-c2ccccc2)c(F)c2ccccc12
InChIInChI=1S/C17H11FN2/c18-16-13-9-5-4-8-12(13)14(10-19)17(20)15(16)11-6-2-1-3-7-11/h1-9H,20H2
InChIKeyRLGHUSXDCHHMHX-UHFFFAOYSA-N
XLogP4.10
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile?
The IUPAC name of 2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile (CID 5297673) is 2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile.
What is the SMILES notation for 2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile?
The canonical SMILES for 2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile is N#Cc1c(N)c(-c2ccccc2)c(F)c2ccccc12.
What is the InChIKey of 2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile?
The InChIKey is RLGHUSXDCHHMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2/c18-16-13-9-5-4-8-12(13)14(10-19)17(20)15(16)11-6-2-1-3-7-11/h1-9H,20H2.
What are the key properties of 2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile?
2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile has a molecular weight of 262.29 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-3-phenylnaphthalene-1-carbonitrile is sourced from PubChem (CID 5297673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).