N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide

C21H17FN4O4 — CID 5344122

IUPACN-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide
SMILESO=C(N/N=C\c1ccc(F)cc1)C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1
InChIInChI=1S/C21H17FN4O4/c22-16-8-6-14(7-9-16)13-23-25-21(28)20(15-4-2-1-3-5-15)24-18-12-17(26(29)30)10-11-19(18)27/h1-13,20,24,27H,(H,25,28)/b23-13-
InChIKeyNDORNCNJQGKTIO-QRVIBDJDSA-N
MW408.39 g/mol
LogP3.74
Rot. Bonds7

About N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide

N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide (PubChem CID 5344122) has the molecular formula C21H17FN4O4 and a molecular weight of 408.39 g/mol. Its IUPAC name is N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide
PubChem CID5344122
Molecular FormulaC21H17FN4O4
Molecular Weight408.39 g/mol
Exact Mass408.12
IUPAC NameN-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide
SMILESO=C(N/N=C\c1ccc(F)cc1)C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1
InChIInChI=1S/C21H17FN4O4/c22-16-8-6-14(7-9-16)13-23-25-21(28)20(15-4-2-1-3-5-15)24-18-12-17(26(29)30)10-11-19(18)27/h1-13,20,24,27H,(H,25,28)/b23-13-
InChIKeyNDORNCNJQGKTIO-QRVIBDJDSA-N
XLogP3.74
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide?
The IUPAC name of N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide (CID 5344122) is N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide?
The canonical SMILES for N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide is O=C(N/N=C\c1ccc(F)cc1)C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1.
What is the InChIKey of N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide?
The InChIKey is NDORNCNJQGKTIO-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H17FN4O4/c22-16-8-6-14(7-9-16)13-23-25-21(28)20(15-4-2-1-3-5-15)24-18-12-17(26(29)30)10-11-19(18)27/h1-13,20,24,27H,(H,25,28)/b23-13-.
What are the key properties of N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide?
N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide has a molecular weight of 408.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(2-hydroxy-5-nitroanilino)-2-phenylacetamide is sourced from PubChem (CID 5344122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).