2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid

C23H19N3O2 — CID 144846171

IUPAC2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid
SMILESN/C(=C\N(N)c1c(C#Cc2ccccc2)cccc1C(=O)O)c1ccccc1
InChIInChI=1S/C23H19N3O2/c24-21(18-10-5-2-6-11-18)16-26(25)22-19(12-7-13-20(22)23(27)28)15-14-17-8-3-1-4-9-17/h1-13,16H,24-25H2,(H,27,28)/b21-16-
InChIKeyFFFIUMYEYYEXKL-PGMHBOJBSA-N
MW369.42 g/mol
LogP3.42
Rot. Bonds4

About 2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid

2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid (PubChem CID 144846171) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid.

Molecular Properties

Compound Name2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid
PubChem CID144846171
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid
SMILESN/C(=C\N(N)c1c(C#Cc2ccccc2)cccc1C(=O)O)c1ccccc1
InChIInChI=1S/C23H19N3O2/c24-21(18-10-5-2-6-11-18)16-26(25)22-19(12-7-13-20(22)23(27)28)15-14-17-8-3-1-4-9-17/h1-13,16H,24-25H2,(H,27,28)/b21-16-
InChIKeyFFFIUMYEYYEXKL-PGMHBOJBSA-N
XLogP3.42
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid?
The IUPAC name of 2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid (CID 144846171) is 2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid.
What is the SMILES notation for 2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid?
The canonical SMILES for 2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid is N/C(=C\N(N)c1c(C#Cc2ccccc2)cccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid?
The InChIKey is FFFIUMYEYYEXKL-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H19N3O2/c24-21(18-10-5-2-6-11-18)16-26(25)22-19(12-7-13-20(22)23(27)28)15-14-17-8-3-1-4-9-17/h1-13,16H,24-25H2,(H,27,28)/b21-16-.
What are the key properties of 2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid?
2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid has a molecular weight of 369.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-(2-phenylethynyl)benzoic acid is sourced from PubChem (CID 144846171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).