3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine

C23H17BrN2 — CID 137385019

IUPAC3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine
SMILES[H]/N=C(\c1cccc(Br)c1)c1cc2ccccc2cc1Nc1ccccc1
InChIInChI=1S/C23H17BrN2/c24-19-10-6-9-18(13-19)23(25)21-14-16-7-4-5-8-17(16)15-22(21)26-20-11-2-1-3-12-20/h1-15,25-26H/b25-23+
InChIKeyWAVXXYOQGDZFOG-WJTDDFOZSA-N
MW401.31 g/mol
LogP6.76
Rot. Bonds4

About 3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine

3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine (PubChem CID 137385019) has the molecular formula C23H17BrN2 and a molecular weight of 401.31 g/mol. Its IUPAC name is 3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine
PubChem CID137385019
Molecular FormulaC23H17BrN2
Molecular Weight401.31 g/mol
Exact Mass400.06
IUPAC Name3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine
SMILES[H]/N=C(\c1cccc(Br)c1)c1cc2ccccc2cc1Nc1ccccc1
InChIInChI=1S/C23H17BrN2/c24-19-10-6-9-18(13-19)23(25)21-14-16-7-4-5-8-17(16)15-22(21)26-20-11-2-1-3-12-20/h1-15,25-26H/b25-23+
InChIKeyWAVXXYOQGDZFOG-WJTDDFOZSA-N
XLogP6.76
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.31
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine?
The IUPAC name of 3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine (CID 137385019) is 3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine?
The canonical SMILES for 3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine is [H]/N=C(\c1cccc(Br)c1)c1cc2ccccc2cc1Nc1ccccc1.
What is the InChIKey of 3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine?
The InChIKey is WAVXXYOQGDZFOG-WJTDDFOZSA-N. The full InChI is InChI=1S/C23H17BrN2/c24-19-10-6-9-18(13-19)23(25)21-14-16-7-4-5-8-17(16)15-22(21)26-20-11-2-1-3-12-20/h1-15,25-26H/b25-23+.
What are the key properties of 3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine?
3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine has a molecular weight of 401.31 g/mol, XLogP of 6.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromobenzenecarboximidoyl)-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 137385019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).