4-(9H-fluoren-2-ylmethylideneamino)benzoic acid

C21H15NO2 — CID 176718188

IUPAC4-(9H-fluoren-2-ylmethylideneamino)benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2ccc3c(c2)Cc2ccccc2-3)cc1
InChIInChI=1S/C21H15NO2/c23-21(24)15-6-8-18(9-7-15)22-13-14-5-10-20-17(11-14)12-16-3-1-2-4-19(16)20/h1-11,13H,12H2,(H,23,24)/b22-13+
InChIKeyHKRBECGEGMSRTP-LPYMAVHISA-N
MW313.36 g/mol
LogP4.71
Rot. Bonds3

About 4-(9H-fluoren-2-ylmethylideneamino)benzoic acid

4-(9H-fluoren-2-ylmethylideneamino)benzoic acid (PubChem CID 176718188) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-(9H-fluoren-2-ylmethylideneamino)benzoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-2-ylmethylideneamino)benzoic acid
PubChem CID176718188
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name4-(9H-fluoren-2-ylmethylideneamino)benzoic acid
SMILESO=C(O)c1ccc(/N=C/c2ccc3c(c2)Cc2ccccc2-3)cc1
InChIInChI=1S/C21H15NO2/c23-21(24)15-6-8-18(9-7-15)22-13-14-5-10-20-17(11-14)12-16-3-1-2-4-19(16)20/h1-11,13H,12H2,(H,23,24)/b22-13+
InChIKeyHKRBECGEGMSRTP-LPYMAVHISA-N
XLogP4.71
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.71
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)benzoic acid
CID 71359398
4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
CID 3419658
4-[(4-hydroxyphenyl)methylideneamino]benzoic acid
CID 2306645
4-[(4-methylphenyl)iminomethyl]benzoic acid
CID 3402295
1H-azepine;9H-fluorene-2-carboxylic acid
CID 174434519
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
4-[[4-[bis[4-[(4-carboxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]benzoic acid
CID 122371002
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641
(2E)-1-(9H-fluoren-2-yl)-2-hydrazinylideneethanone
CID 43835389
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
1-(9H-fluoren-2-yl)prop-1-en-1-ol
CID 141066359

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-2-ylmethylideneamino)benzoic acid?
The IUPAC name of 4-(9H-fluoren-2-ylmethylideneamino)benzoic acid (CID 176718188) is 4-(9H-fluoren-2-ylmethylideneamino)benzoic acid.
What is the SMILES notation for 4-(9H-fluoren-2-ylmethylideneamino)benzoic acid?
The canonical SMILES for 4-(9H-fluoren-2-ylmethylideneamino)benzoic acid is O=C(O)c1ccc(/N=C/c2ccc3c(c2)Cc2ccccc2-3)cc1.
What is the InChIKey of 4-(9H-fluoren-2-ylmethylideneamino)benzoic acid?
The InChIKey is HKRBECGEGMSRTP-LPYMAVHISA-N. The full InChI is InChI=1S/C21H15NO2/c23-21(24)15-6-8-18(9-7-15)22-13-14-5-10-20-17(11-14)12-16-3-1-2-4-19(16)20/h1-11,13H,12H2,(H,23,24)/b22-13+.
What are the key properties of 4-(9H-fluoren-2-ylmethylideneamino)benzoic acid?
4-(9H-fluoren-2-ylmethylideneamino)benzoic acid has a molecular weight of 313.36 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-2-ylmethylideneamino)benzoic acid is sourced from PubChem (CID 176718188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).