2-(benzylideneamino)benzoic acid

C14H11NO2 — CID 21988

IUPAC2-(benzylideneamino)benzoic acid
SMILESO=C(O)c1ccccc1/N=C/c1ccccc1
InChIInChI=1S/C14H11NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-10H,(H,16,17)/b15-10+
InChIKeyRSSOEXVKHMRAGG-XNTDXEJSSA-N
MW225.25 g/mol
LogP3.14
Rot. Bonds3

About 2-(benzylideneamino)benzoic acid

2-(benzylideneamino)benzoic acid (PubChem CID 21988) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(benzylideneamino)benzoic acid.

Molecular Properties

Compound Name2-(benzylideneamino)benzoic acid
PubChem CID21988
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name2-(benzylideneamino)benzoic acid
SMILESO=C(O)c1ccccc1/N=C/c1ccccc1
InChIInChI=1S/C14H11NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-10H,(H,16,17)/b15-10+
InChIKeyRSSOEXVKHMRAGG-XNTDXEJSSA-N
XLogP3.14
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.14
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

Anthranilic Acid
CID 227
4-(benzylideneamino)benzoic Acid
CID 687887
Aurantiol
CID 98118
2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one
CID 296008
2-p-Tolyl-benzo[d][1,3]oxazin-4-one
CID 292612
2-(2-Tolyl)-4H-3,1-benzoxazin-4-one
CID 810910
2-(4-fluorophenyl)-4H-3,1-benzoxazin-4-one
CID 708482
2-(3-Tolyl)-4H-3,1-benzoxazin-4-one
CID 708712
2-Phenyl-3,1-benzoxazin-4-one
CID 13926
2-((Phenylmethyl)amino)benzoic acid
CID 81095
2-(2-fluorophenyl)-4H-3,1-benzoxazin-4-one
CID 709912
2-[(E)-2-Phenylethenyl]-4H-3,1-benzoxazin-4-one
CID 5367020

Frequently Asked Questions

What is the IUPAC name of 2-(benzylideneamino)benzoic acid?
The IUPAC name of 2-(benzylideneamino)benzoic acid (CID 21988) is 2-(benzylideneamino)benzoic acid.
What is the SMILES notation for 2-(benzylideneamino)benzoic acid?
The canonical SMILES for 2-(benzylideneamino)benzoic acid is O=C(O)c1ccccc1/N=C/c1ccccc1.
What is the InChIKey of 2-(benzylideneamino)benzoic acid?
The InChIKey is RSSOEXVKHMRAGG-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-10H,(H,16,17)/b15-10+.
What are the key properties of 2-(benzylideneamino)benzoic acid?
2-(benzylideneamino)benzoic acid has a molecular weight of 225.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylideneamino)benzoic acid is sourced from PubChem (CID 21988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).