N'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide

C20H18BrN3O — CID 118714231

IUPACN'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide
SMILESN/C(CC(O)c1cccc2ccccc12)=N\N=C\c1cccc(Br)c1
InChIInChI=1S/C20H18BrN3O/c21-16-8-3-5-14(11-16)13-23-24-20(22)12-19(25)18-10-4-7-15-6-1-2-9-17(15)18/h1-11,13,19,25H,12H2,(H2,22,24)/b23-13+
InChIKeySGULDKBNGKJMNY-YDZHTSKRSA-N
MW396.29 g/mol
LogP4.42
Rot. Bonds5

About N'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide

N'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide (PubChem CID 118714231) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide.

Molecular Properties

Compound NameN'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide
PubChem CID118714231
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide
SMILESN/C(CC(O)c1cccc2ccccc12)=N\N=C\c1cccc(Br)c1
InChIInChI=1S/C20H18BrN3O/c21-16-8-3-5-14(11-16)13-23-24-20(22)12-19(25)18-10-4-7-15-6-1-2-9-17(15)18/h1-11,13,19,25H,12H2,(H2,22,24)/b23-13+
InChIKeySGULDKBNGKJMNY-YDZHTSKRSA-N
XLogP4.42
TPSA70.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
The IUPAC name of N'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide (CID 118714231) is N'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide.
What is the SMILES notation for N'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
The canonical SMILES for N'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide is N/C(CC(O)c1cccc2ccccc12)=N\N=C\c1cccc(Br)c1.
What is the InChIKey of N'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
The InChIKey is SGULDKBNGKJMNY-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H18BrN3O/c21-16-8-3-5-14(11-16)13-23-24-20(22)12-19(25)18-10-4-7-15-6-1-2-9-17(15)18/h1-11,13,19,25H,12H2,(H2,22,24)/b23-13+.
What are the key properties of N'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide?
N'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide has a molecular weight of 396.29 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3-bromophenyl)methylideneamino]-3-hydroxy-3-naphthalen-1-ylpropanimidamide is sourced from PubChem (CID 118714231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).