N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

C23H19N5O7 — CID 136909108

IUPACN-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C23H19N5O7/c29-20(26-25-13-17-11-18(27(32)33)12-19(22(17)30)28(34)35)14-24-23(31)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21,30H,14H2,(H,24,31)(H,26,29)/b25-13-
InChIKeyAPUIDVRMQNLZQO-MXAYSNPKSA-N
MW477.43 g/mol
LogP2.61
Rot. Bonds9

About N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 136909108) has the molecular formula C23H19N5O7 and a molecular weight of 477.43 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID136909108
Molecular FormulaC23H19N5O7
Molecular Weight477.43 g/mol
Exact Mass477.13
IUPAC NameN-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESO=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C23H19N5O7/c29-20(26-25-13-17-11-18(27(32)33)12-19(22(17)30)28(34)35)14-24-23(31)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21,30H,14H2,(H,24,31)(H,26,29)/b25-13-
InChIKeyAPUIDVRMQNLZQO-MXAYSNPKSA-N
XLogP2.61
TPSA177.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.43
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4653264
(2S)-N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 137206870
N-[2-[(2E)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 135514407
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 3975909
N-[2-[(2E)-2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 171980358
1-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-3-phenylurea
CID 135403951
N-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 136919359
2-hydroxy-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 135479551
N-[2-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4612170
2-(2-cyanophenoxy)-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]acetamide
CID 135419880
2,4-dinitro-6-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136886764
2-[4-[(2S)-butan-2-yl]phenoxy]-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]acetamide
CID 135876553

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (CID 136909108) is N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.
What is the InChIKey of N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is APUIDVRMQNLZQO-MXAYSNPKSA-N. The full InChI is InChI=1S/C23H19N5O7/c29-20(26-25-13-17-11-18(27(32)33)12-19(22(17)30)28(34)35)14-24-23(31)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,21,30H,14H2,(H,24,31)(H,26,29)/b25-13-.
What are the key properties of N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 477.43 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 136909108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).