2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide

C15H15N3O3 — CID 136736930

IUPAC2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C\c1cccc(O)c1O
InChIInChI=1S/C15H15N3O3/c19-13-8-4-5-11(15(13)21)9-17-18-14(20)10-16-12-6-2-1-3-7-12/h1-9,16,19,21H,10H2,(H,18,20)/b17-9-
InChIKeyMTNCCPRUXWSIQP-MFOYZWKCSA-N
MW285.30 g/mol
LogP1.66
Rot. Bonds5

About 2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide

2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide (PubChem CID 136736930) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide
PubChem CID136736930
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CNc1ccccc1)N/N=C\c1cccc(O)c1O
InChIInChI=1S/C15H15N3O3/c19-13-8-4-5-11(15(13)21)9-17-18-14(20)10-16-12-6-2-1-3-7-12/h1-9,16,19,21H,10H2,(H,18,20)/b17-9-
InChIKeyMTNCCPRUXWSIQP-MFOYZWKCSA-N
XLogP1.66
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135490294
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135852666
2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 7638625
2-(3-chloroanilino)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 5143452
2-anilino-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662896
N-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 2833192
2-anilino-N-[(Z)-(4-anilinophenyl)methylideneamino]acetamide
CID 7601999
N,N'-bis[(2,3-dihydroxyphenyl)methylideneamino]oxamide
CID 5041852
4-anilino-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 136794094
2-(4-methylanilino)-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 5393375
2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135620274
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide (CID 136736930) is 2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide is O=C(CNc1ccccc1)N/N=C\c1cccc(O)c1O.
What is the InChIKey of 2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide?
The InChIKey is MTNCCPRUXWSIQP-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-13-8-4-5-11(15(13)21)9-17-18-14(20)10-16-12-6-2-1-3-7-12/h1-9,16,19,21H,10H2,(H,18,20)/b17-9-.
What are the key properties of 2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide?
2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide has a molecular weight of 285.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(Z)-(2,3-dihydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136736930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).