N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide

C29H25N3O5 — CID 1494298

IUPACN'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide
SMILESCc1ccccc1C(O)(C(=O)NN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1C
InChIInChI=1S/C29H25N3O5/c1-20-10-6-8-14-25(20)29(35,26-15-9-7-11-21(26)2)28(34)30-31(23-12-4-3-5-13-23)27(33)22-16-18-24(19-17-22)32(36)37/h3-19,35H,1-2H3,(H,30,34)
InChIKeyBSXMDWNHRHDODJ-UHFFFAOYSA-N
MW495.54 g/mol
LogP4.83
Rot. Bonds6

About N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide

N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide (PubChem CID 1494298) has the molecular formula C29H25N3O5 and a molecular weight of 495.54 g/mol. Its IUPAC name is N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide
PubChem CID1494298
Molecular FormulaC29H25N3O5
Molecular Weight495.54 g/mol
Exact Mass495.18
IUPAC NameN'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide
SMILESCc1ccccc1C(O)(C(=O)NN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1C
InChIInChI=1S/C29H25N3O5/c1-20-10-6-8-14-25(20)29(35,26-15-9-7-11-21(26)2)28(34)30-31(23-12-4-3-5-13-23)27(33)22-16-18-24(19-17-22)32(36)37/h3-19,35H,1-2H3,(H,30,34)
InChIKeyBSXMDWNHRHDODJ-UHFFFAOYSA-N
XLogP4.83
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-hexyl-2-hydroxyoctanoyl)-3-nitro-N-phenylbenzohydrazide
CID 3713841
N-(2-methylphenyl)-4-nitro-N-propanoylbenzamide
CID 23995211
N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide
CID 27827757
N'-(furan-2-yl)-N-(4-nitrophenyl)benzohydrazide
CID 150690704
4-[[(2-methylpropan-2-yl)oxycarbonylamino]-phenylcarbamoyl]benzoic acid
CID 68906286
N-methyl-4-nitro-N-pyridin-3-ylbenzamide
CID 59607131
(Z)-3-anilino-4-methoxy-4-methyl-1-(4-nitrophenyl)pent-2-en-1-one
CID 91872179
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461
tert-butyl N-(N-(2-methylphenyl)-4-nitroanilino)carbamate
CID 45158452
2-methyl-N'-(4-nitrobenzoyl)benzohydrazide
CID 3762572
2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propanoic acid
CID 81370083
2-phenylpropan-2-yl 4-nitrobenzoate
CID 4207354

Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide?
The IUPAC name of N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide (CID 1494298) is N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide.
What is the SMILES notation for N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide?
The canonical SMILES for N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide is Cc1ccccc1C(O)(C(=O)NN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1C.
What is the InChIKey of N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide?
The InChIKey is BSXMDWNHRHDODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O5/c1-20-10-6-8-14-25(20)29(35,26-15-9-7-11-21(26)2)28(34)30-31(23-12-4-3-5-13-23)27(33)22-16-18-24(19-17-22)32(36)37/h3-19,35H,1-2H3,(H,30,34).
What are the key properties of N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide?
N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide has a molecular weight of 495.54 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-2,2-bis(2-methylphenyl)acetyl]-4-nitro-N-phenylbenzohydrazide is sourced from PubChem (CID 1494298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).