4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid

C18H16N2O2 — CID 23476815

IUPAC4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid
SMILESCCn1cc(/C=N/c2ccc(C(=O)O)cc2)c2ccccc21
InChIInChI=1S/C18H16N2O2/c1-2-20-12-14(16-5-3-4-6-17(16)20)11-19-15-9-7-13(8-10-15)18(21)22/h3-12H,2H2,1H3,(H,21,22)/b19-11+
InChIKeyBZMIZDNFOZHNBJ-YBFXNURJSA-N
MW292.34 g/mol
LogP4.11
Rot. Bonds4

About 4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid

4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid (PubChem CID 23476815) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid
PubChem CID23476815
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid
SMILESCCn1cc(/C=N/c2ccc(C(=O)O)cc2)c2ccccc21
InChIInChI=1S/C18H16N2O2/c1-2-20-12-14(16-5-3-4-6-17(16)20)11-19-15-9-7-13(8-10-15)18(21)22/h3-12H,2H2,1H3,(H,21,22)/b19-11+
InChIKeyBZMIZDNFOZHNBJ-YBFXNURJSA-N
XLogP4.11
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(1-ethylindol-3-yl)methylideneamino]benzoate
CID 23476830
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
3-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzoic acid
CID 126391706
5-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-chlorobenzoic acid
CID 126391337
1-[3-[(1-methylindol-3-yl)methylideneamino]phenyl]ethanone
CID 23476824
2-[3-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide
CID 126389976
1-[3-[[4-(diethylamino)phenyl]iminomethyl]indol-1-yl]ethanone
CID 849603
4-[[(5Z)-5-[(1-benzylindol-3-yl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6208643
4-[2-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]benzoic acid
CID 3701627
2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide
CID 110512121
3-acetamido-N-[(1-ethylindol-3-yl)methylideneamino]benzamide
CID 967738
2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide
CID 126388972

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid?
The IUPAC name of 4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid (CID 23476815) is 4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid.
What is the SMILES notation for 4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid?
The canonical SMILES for 4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid is CCn1cc(/C=N/c2ccc(C(=O)O)cc2)c2ccccc21.
What is the InChIKey of 4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid?
The InChIKey is BZMIZDNFOZHNBJ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-20-12-14(16-5-3-4-6-17(16)20)11-19-15-9-7-13(8-10-15)18(21)22/h3-12H,2H2,1H3,(H,21,22)/b19-11+.
What are the key properties of 4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid?
4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid has a molecular weight of 292.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid is sourced from PubChem (CID 23476815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).