N'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide

C23H25N3O3 — CID 86346580

IUPACN'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide
SMILESO=C(NN(c1ccccc1)c1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H25N3O3/c27-22(23-13-16-10-17(14-23)12-18(11-16)15-23)24-25(19-6-2-1-3-7-19)20-8-4-5-9-21(20)26(28)29/h1-9,16-18H,10-15H2,(H,24,27)
InChIKeyLEYVUWPSMIOFGR-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.98
Rot. Bonds5

About N'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide

N'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide (PubChem CID 86346580) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide
PubChem CID86346580
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide
SMILESO=C(NN(c1ccccc1)c1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H25N3O3/c27-22(23-13-16-10-17(14-23)12-18(11-16)15-23)24-25(19-6-2-1-3-7-19)20-8-4-5-9-21(20)26(28)29/h1-9,16-18H,10-15H2,(H,24,27)
InChIKeyLEYVUWPSMIOFGR-UHFFFAOYSA-N
XLogP4.98
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-nitrophenyl)-N'-phenylpyridine-2-carbohydrazide
CID 86346568
N'-[2-(2-nitrophenoxy)acetyl]adamantane-1-carbohydrazide
CID 8800431
N'-[(3S)-1,1-dioxothiolan-3-yl]-N'-phenyladamantane-1-carbohydrazide
CID 7689997
(E)-1-(1-adamantyl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 14511574
N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 4876133
[2-(1-adamantyl)-2-oxoethyl] 2-nitrobenzoate
CID 7463591
N-(8-nitro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)adamantane-1-carboxamide
CID 110455355
[2-(1-adamantyl)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 7788782
N-(1-adamantyl)-2-(2-nitrophenyl)acetamide
CID 27650254
N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide
CID 4163230
2-(2-nitrophenyl)-1,1-diphenylhydrazine
CID 23118944
N-[2-[adamantane-1-carbonyl(1-adamantyl)amino]phenyl]-N-(1-adamantyl)adamantane-1-carboxamide
CID 171577021

Frequently Asked Questions

What is the IUPAC name of N'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide?
The IUPAC name of N'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide (CID 86346580) is N'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide.
What is the SMILES notation for N'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide?
The canonical SMILES for N'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide is O=C(NN(c1ccccc1)c1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide?
The InChIKey is LEYVUWPSMIOFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-22(23-13-16-10-17(14-23)12-18(11-16)15-23)24-25(19-6-2-1-3-7-19)20-8-4-5-9-21(20)26(28)29/h1-9,16-18H,10-15H2,(H,24,27).
What are the key properties of N'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide?
N'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide has a molecular weight of 391.47 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-nitrophenyl)-N'-phenyladamantane-1-carbohydrazide is sourced from PubChem (CID 86346580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).