N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide

C22H19N3O5 — CID 4951357

IUPACN'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19N3O5/c1-15(30-20-13-11-19(12-14-20)25(28)29)21(26)23-24-22(27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H,23,26)(H,24,27)
InChIKeyUMVMTIWHCBTFBO-UHFFFAOYSA-N
MW405.41 g/mol
LogP3.49
Rot. Bonds6

About N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide

N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide (PubChem CID 4951357) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide
PubChem CID4951357
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC NameN'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H19N3O5/c1-15(30-20-13-11-19(12-14-20)25(28)29)21(26)23-24-22(27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H,23,26)(H,24,27)
InChIKeyUMVMTIWHCBTFBO-UHFFFAOYSA-N
XLogP3.49
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.49
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'-[(2R)-2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 8864494
N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 4951406
4-methyl-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4951976
N'-[2-(2-methylphenoxy)propanoyl]-4-nitrobenzohydrazide
CID 4931669
4-methyl-N'-(2-phenoxypropanoyl)benzohydrazide
CID 3631499
3-methyl-N-[4-[[[(2S)-2-(4-phenylphenoxy)propanoyl]amino]carbamoyl]phenyl]butanamide
CID 42426777
N'-[(2S)-2-(4-tert-butylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 8573555
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 8954475
(2R)-N-(2-methyl-4-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7231677
3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4952004
N-benzyl-4-[2-(4-nitrophenoxy)propanoylamino]benzamide
CID 43887414
(2S)-N-(4-nitrophenyl)-2-phenoxypropanamide
CID 40543008

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide?
The IUPAC name of N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide (CID 4951357) is N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide?
The canonical SMILES for N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide?
The InChIKey is UMVMTIWHCBTFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-15(30-20-13-11-19(12-14-20)25(28)29)21(26)23-24-22(27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide?
N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide has a molecular weight of 405.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-nitrophenoxy)propanoyl]-4-phenylbenzohydrazide is sourced from PubChem (CID 4951357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).