8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid

C18H12ClNO2 — CID 10733705

IUPAC8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(/C=N/c3cccc(Cl)c3)c12
InChIInChI=1S/C18H12ClNO2/c19-14-7-3-8-15(10-14)20-11-13-6-1-4-12-5-2-9-16(17(12)13)18(21)22/h1-11H,(H,21,22)/b20-11+
InChIKeyIQDWLWYBKPBGAI-RGVLZGJSSA-N
MW309.75 g/mol
LogP4.94
Rot. Bonds3

About 8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid

8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid (PubChem CID 10733705) has the molecular formula C18H12ClNO2 and a molecular weight of 309.75 g/mol. Its IUPAC name is 8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid
PubChem CID10733705
Molecular FormulaC18H12ClNO2
Molecular Weight309.75 g/mol
Exact Mass309.06
IUPAC Name8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cccc(/C=N/c3cccc(Cl)c3)c12
InChIInChI=1S/C18H12ClNO2/c19-14-7-3-8-15(10-14)20-11-13-6-1-4-12-5-2-9-16(17(12)13)18(21)22/h1-11H,(H,21,22)/b20-11+
InChIKeyIQDWLWYBKPBGAI-RGVLZGJSSA-N
XLogP4.94
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[(3-methylphenyl)iminomethyl]naphthalene-1-carboxylic acid
CID 10755862
8-[[4-[4-[(8-carboxynaphthalen-1-yl)methylideneamino]phenyl]phenyl]iminomethyl]naphthalene-1-carboxylic acid
CID 171983062
benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine
CID 21130230
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
5-[(2-chlorophenyl)methylideneamino]-2-hydroxybenzoic acid
CID 17384577
1-anthracen-9-yl-N-(3-chlorophenyl)methanimine
CID 5218949
sodium;hydride;naphthalene-1,8-dicarboxylic acid
CID 175149963
4-[(3-chlorophenyl)iminomethyl]phenol
CID 4592750
2-[(3-chlorophenyl)iminomethyl]-4,6-diiodophenol
CID 4092564
2-[(E)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190252

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid?
The IUPAC name of 8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid (CID 10733705) is 8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid is O=C(O)c1cccc2cccc(/C=N/c3cccc(Cl)c3)c12.
What is the InChIKey of 8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid?
The InChIKey is IQDWLWYBKPBGAI-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H12ClNO2/c19-14-7-3-8-15(10-14)20-11-13-6-1-4-12-5-2-9-16(17(12)13)18(21)22/h1-11H,(H,21,22)/b20-11+.
What are the key properties of 8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid?
8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid has a molecular weight of 309.75 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chlorophenyl)iminomethyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 10733705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).