N-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride

C24H20ClN3O3 — CID 163339593

IUPACN-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride
SMILESCOc1ccc(N/C(=N\c2ccc([N+](=O)[O-])cc2)c2cccc3ccccc23)cc1.Cl
InChIInChI=1S/C24H19N3O3.ClH/c1-30-21-15-11-19(12-16-21)26-24(25-18-9-13-20(14-10-18)27(28)29)23-8-4-6-17-5-2-3-7-22(17)23;/h2-16H,1H3,(H,25,26);1H
InChIKeyBJZWYRYVFSYMNZ-UHFFFAOYSA-N
MW433.90 g/mol
LogP6.37
Rot. Bonds5

About N-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride

N-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride (PubChem CID 163339593) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride
PubChem CID163339593
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride
SMILESCOc1ccc(N/C(=N\c2ccc([N+](=O)[O-])cc2)c2cccc3ccccc23)cc1.Cl
InChIInChI=1S/C24H19N3O3.ClH/c1-30-21-15-11-19(12-16-21)26-24(25-18-9-13-20(14-10-18)27(28)29)23-8-4-6-17-5-2-3-7-22(17)23;/h2-16H,1H3,(H,25,26);1H
InChIKeyBJZWYRYVFSYMNZ-UHFFFAOYSA-N
XLogP6.37
TPSA76.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride (CID 163339593) is N-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride is COc1ccc(N/C(=N\c2ccc([N+](=O)[O-])cc2)c2cccc3ccccc23)cc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride?
The InChIKey is BJZWYRYVFSYMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3.ClH/c1-30-21-15-11-19(12-16-21)26-24(25-18-9-13-20(14-10-18)27(28)29)23-8-4-6-17-5-2-3-7-22(17)23;/h2-16H,1H3,(H,25,26);1H.
What are the key properties of N-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride?
N-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride has a molecular weight of 433.90 g/mol, XLogP of 6.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride is sourced from PubChem (CID 163339593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).