2-(N-(4-bromophenyl)anilino)acetonitrile

C14H11BrN2 — CID 138327614

IUPAC2-(N-(4-bromophenyl)anilino)acetonitrile
SMILESN#CCN(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN2/c15-12-6-8-14(9-7-12)17(11-10-16)13-4-2-1-3-5-13/h1-9H,11H2
InChIKeyZHSIKCJQJVFLOD-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.11
Rot. Bonds3

About 2-(N-(4-bromophenyl)anilino)acetonitrile

2-(N-(4-bromophenyl)anilino)acetonitrile (PubChem CID 138327614) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(N-(4-bromophenyl)anilino)acetonitrile.

Molecular Properties

Compound Name2-(N-(4-bromophenyl)anilino)acetonitrile
PubChem CID138327614
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name2-(N-(4-bromophenyl)anilino)acetonitrile
SMILESN#CCN(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrN2/c15-12-6-8-14(9-7-12)17(11-10-16)13-4-2-1-3-5-13/h1-9H,11H2
InChIKeyZHSIKCJQJVFLOD-UHFFFAOYSA-N
XLogP4.11
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-bromophenyl)anilino)acetonitrile?
The IUPAC name of 2-(N-(4-bromophenyl)anilino)acetonitrile (CID 138327614) is 2-(N-(4-bromophenyl)anilino)acetonitrile.
What is the SMILES notation for 2-(N-(4-bromophenyl)anilino)acetonitrile?
The canonical SMILES for 2-(N-(4-bromophenyl)anilino)acetonitrile is N#CCN(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(N-(4-bromophenyl)anilino)acetonitrile?
The InChIKey is ZHSIKCJQJVFLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c15-12-6-8-14(9-7-12)17(11-10-16)13-4-2-1-3-5-13/h1-9H,11H2.
What are the key properties of 2-(N-(4-bromophenyl)anilino)acetonitrile?
2-(N-(4-bromophenyl)anilino)acetonitrile has a molecular weight of 287.16 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-bromophenyl)anilino)acetonitrile is sourced from PubChem (CID 138327614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).