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

C23H21N3O6 — CID 4944324

IUPACN'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21N3O6/c1-16(32-21-10-6-5-9-20(21)26(29)30)22(27)24-25-23(28)18-11-13-19(14-12-18)31-15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyQBJHOYUCPOWSIR-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.40
Rot. Bonds8

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

N'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide (PubChem CID 4944324) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is N'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide
PubChem CID4944324
Molecular FormulaC23H21N3O6
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC NameN'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide
SMILESCC(Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21N3O6/c1-16(32-21-10-6-5-9-20(21)26(29)30)22(27)24-25-23(28)18-11-13-19(14-12-18)31-15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,24,27)(H,25,28)
InChIKeyQBJHOYUCPOWSIR-UHFFFAOYSA-N
XLogP3.40
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-(2-methylpropoxy)-N'-[(2R)-2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 9206169
2-(2-nitrophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4947557
4-tert-butyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944277
2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944143
3-bromo-4-methyl-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944269
3-methyl-N-[4-[[2-(2-nitrophenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4944222
(2R)-N'-[2-(2-methoxyphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206073
(2R)-2-(2-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7503731
N'-[2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 4951406
N'-[(2R)-2-(4-nitrophenoxy)propanoyl]benzohydrazide
CID 8864494
(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636
N-[4-[2-(2-nitrophenoxy)propanoylamino]phenyl]benzamide
CID 17235413

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide?
The IUPAC name of N'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide (CID 4944324) is N'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide is CC(Oc1ccccc1[N+](=O)[O-])C(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide?
The InChIKey is QBJHOYUCPOWSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c1-16(32-21-10-6-5-9-20(21)26(29)30)22(27)24-25-23(28)18-11-13-19(14-12-18)31-15-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide?
N'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide has a molecular weight of 435.44 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-nitrophenoxy)propanoyl]-4-phenylmethoxybenzohydrazide is sourced from PubChem (CID 4944324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).