(5-amino-2-methanehydrazonoylphenyl) benzoate

C14H13N3O2 — CID 141453778

IUPAC(5-amino-2-methanehydrazonoylphenyl) benzoate
SMILESNN=Cc1ccc(N)cc1OC(=O)c1ccccc1
InChIInChI=1S/C14H13N3O2/c15-12-7-6-11(9-17-16)13(8-12)19-14(18)10-4-2-1-3-5-10/h1-9H,15-16H2
InChIKeyNMYBWJHPQGQKBU-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.78
Rot. Bonds3

About (5-amino-2-methanehydrazonoylphenyl) benzoate

(5-amino-2-methanehydrazonoylphenyl) benzoate (PubChem CID 141453778) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is (5-amino-2-methanehydrazonoylphenyl) benzoate.

Molecular Properties

Compound Name(5-amino-2-methanehydrazonoylphenyl) benzoate
PubChem CID141453778
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name(5-amino-2-methanehydrazonoylphenyl) benzoate
SMILESNN=Cc1ccc(N)cc1OC(=O)c1ccccc1
InChIInChI=1S/C14H13N3O2/c15-12-7-6-11(9-17-16)13(8-12)19-14(18)10-4-2-1-3-5-10/h1-9H,15-16H2
InChIKeyNMYBWJHPQGQKBU-UHFFFAOYSA-N
XLogP1.78
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methanehydrazonoylphenyl) benzoate
CID 141428468
(5-amino-2-hydroxyphenyl) benzoate
CID 12648522
(2-methanehydrazonoylphenyl) 2-hydroxybenzoate
CID 70187606
(3-benzoyloxy-4-chlorophenyl) benzoate
CID 102086549
[4-[(Z)-[(3-aminobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 110512271
(3-benzoyloxy-4-formyl-5-hydroxyphenyl) benzoate
CID 131871766
[3-benzoyloxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 4530969
[3-benzoyloxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5106665
diphenyl 5-aminobenzene-1,3-dicarboxylate
CID 67545316
[3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate
CID 6612290
2-(4-methanehydrazonoyl-3-methoxyphenyl)acetic acid
CID 168531416
(2-chloro-5-sulfamoylphenyl) benzoate
CID 174732277

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methanehydrazonoylphenyl) benzoate?
The IUPAC name of (5-amino-2-methanehydrazonoylphenyl) benzoate (CID 141453778) is (5-amino-2-methanehydrazonoylphenyl) benzoate.
What is the SMILES notation for (5-amino-2-methanehydrazonoylphenyl) benzoate?
The canonical SMILES for (5-amino-2-methanehydrazonoylphenyl) benzoate is NN=Cc1ccc(N)cc1OC(=O)c1ccccc1.
What is the InChIKey of (5-amino-2-methanehydrazonoylphenyl) benzoate?
The InChIKey is NMYBWJHPQGQKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-12-7-6-11(9-17-16)13(8-12)19-14(18)10-4-2-1-3-5-10/h1-9H,15-16H2.
What are the key properties of (5-amino-2-methanehydrazonoylphenyl) benzoate?
(5-amino-2-methanehydrazonoylphenyl) benzoate has a molecular weight of 255.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methanehydrazonoylphenyl) benzoate is sourced from PubChem (CID 141453778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).