2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide

C25H19N3O5 — CID 135890916

IUPAC2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1c(O)ccc2cc([N+](=O)[O-])ccc12)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19N3O5/c29-23-14-11-17-15-20(28(32)33)12-13-21(17)22(23)16-26-27-24(30)25(31,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,29,31H,(H,27,30)/b26-16-
InChIKeyFXTKOBJHOJYJHK-QQXSKIMKSA-N
MW441.44 g/mol
LogP3.84
Rot. Bonds6

About 2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide

2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide (PubChem CID 135890916) has the molecular formula C25H19N3O5 and a molecular weight of 441.44 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
PubChem CID135890916
Molecular FormulaC25H19N3O5
Molecular Weight441.44 g/mol
Exact Mass441.13
IUPAC Name2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
SMILESO=C(N/N=C\c1c(O)ccc2cc([N+](=O)[O-])ccc12)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19N3O5/c29-23-14-11-17-15-20(28(32)33)12-13-21(17)22(23)16-26-27-24(30)25(31,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,29,31H,(H,27,30)/b26-16-
InChIKeyFXTKOBJHOJYJHK-QQXSKIMKSA-N
XLogP3.84
TPSA125.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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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Related Compounds

2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 6881941
2-hydroxy-N-[(E)-[5-(2-hydroxy-5-nitrophenyl)furan-2-yl]methylideneamino]-2,2-diphenylacetamide
CID 137062754
3-chloro-N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 135822128
2-hydroxy-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135479551
2-hydroxy-N-[(E)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2,2-diphenylacetamide
CID 5338017
2-hydroxy-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135642279
3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136719030
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 135578890
N-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3958569
4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2-nitrophenolate
CID 7032585
N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
CID 5338217
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[(4-nitrobenzoyl)amino]benzamide
CID 135567648

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide?
The IUPAC name of 2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide (CID 135890916) is 2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide is O=C(N/N=C\c1c(O)ccc2cc([N+](=O)[O-])ccc12)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide?
The InChIKey is FXTKOBJHOJYJHK-QQXSKIMKSA-N. The full InChI is InChI=1S/C25H19N3O5/c29-23-14-11-17-15-20(28(32)33)12-13-21(17)22(23)16-26-27-24(30)25(31,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-16,29,31H,(H,27,30)/b26-16-.
What are the key properties of 2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide?
2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide has a molecular weight of 441.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide is sourced from PubChem (CID 135890916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).