4-(naphthalen-2-ylmethylideneamino)benzoic acid

C18H13NO2 — CID 71359398

IUPAC4-(naphthalen-2-ylmethylideneamino)benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H13NO2/c20-18(21)15-7-9-17(10-8-15)19-12-13-5-6-14-3-1-2-4-16(14)11-13/h1-12H,(H,20,21)/b19-12+
InChIKeyDBYLOATXXUAKHP-XDHOZWIPSA-N
MW275.31 g/mol
LogP4.29
Rot. Bonds3

About 4-(naphthalen-2-ylmethylideneamino)benzoic acid

4-(naphthalen-2-ylmethylideneamino)benzoic acid (PubChem CID 71359398) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethylideneamino)benzoic acid.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethylideneamino)benzoic acid
PubChem CID71359398
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name4-(naphthalen-2-ylmethylideneamino)benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2ccc3ccccc3c2)cc1
InChIInChI=1S/C18H13NO2/c20-18(21)15-7-9-17(10-8-15)19-12-13-5-6-14-3-1-2-4-16(14)11-13/h1-12H,(H,20,21)/b19-12+
InChIKeyDBYLOATXXUAKHP-XDHOZWIPSA-N
XLogP4.29
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.29
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

4-(naphthalen-2-ylmethylideneamino)benzamide
CID 791141
4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
CID 3419658
4-(9H-fluoren-2-ylmethylideneamino)benzoic acid
CID 176718188
4-[(4-hydroxyphenyl)methylideneamino]benzoic acid
CID 2306645
4-[(4-methylphenyl)iminomethyl]benzoic acid
CID 3402295
4-[[4-[bis[4-[(4-carboxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]benzoic acid
CID 122371002
N-(naphthalen-2-ylmethylidene)benzamide
CID 101463832
4-methylbenzoic acid;naphthalene-2-carbaldehyde
CID 88811859
naphthalene-2-carboxylic acid
CID 175967775
4-(pyren-1-ylmethylideneamino)benzoic acid
CID 102429268
[4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone
CID 10784299
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethylideneamino)benzoic acid?
The IUPAC name of 4-(naphthalen-2-ylmethylideneamino)benzoic acid (CID 71359398) is 4-(naphthalen-2-ylmethylideneamino)benzoic acid.
What is the SMILES notation for 4-(naphthalen-2-ylmethylideneamino)benzoic acid?
The canonical SMILES for 4-(naphthalen-2-ylmethylideneamino)benzoic acid is O=C(O)c1ccc(/N=C/c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-(naphthalen-2-ylmethylideneamino)benzoic acid?
The InChIKey is DBYLOATXXUAKHP-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H13NO2/c20-18(21)15-7-9-17(10-8-15)19-12-13-5-6-14-3-1-2-4-16(14)11-13/h1-12H,(H,20,21)/b19-12+.
What are the key properties of 4-(naphthalen-2-ylmethylideneamino)benzoic acid?
4-(naphthalen-2-ylmethylideneamino)benzoic acid has a molecular weight of 275.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethylideneamino)benzoic acid is sourced from PubChem (CID 71359398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).