N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide

C23H21N3O6 — CID 17134509

IUPACN'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C23H21N3O6/c27-22(16-32-20-11-9-19(10-12-20)26(29)30)24-25-23(28)18-7-4-8-21(15-18)31-14-13-17-5-2-1-3-6-17/h1-12,15H,13-14,16H2,(H,24,27)(H,25,28)
InChIKeyKTMMOSOCDZRBRB-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.06
Rot. Bonds9

About N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide

N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide (PubChem CID 17134509) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
PubChem CID17134509
Molecular FormulaC23H21N3O6
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC NameN'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C23H21N3O6/c27-22(16-32-20-11-9-19(10-12-20)26(29)30)24-25-23(28)18-7-4-8-21(15-18)31-14-13-17-5-2-1-3-6-17/h1-12,15H,13-14,16H2,(H,24,27)(H,25,28)
InChIKeyKTMMOSOCDZRBRB-UHFFFAOYSA-N
XLogP3.06
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.06
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

N'-[2-(4-methoxyphenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134452
3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 932571
3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 17149910
N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide
CID 17134273
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955139
3-(2-phenylethoxy)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 17134455
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134842
4-(2-phenylethoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 4956671
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
N'-[2-(4-methoxyphenoxy)acetyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956591
N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134546

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide?
The IUPAC name of N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide (CID 17134509) is N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide is O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide?
The InChIKey is KTMMOSOCDZRBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c27-22(16-32-20-11-9-19(10-12-20)26(29)30)24-25-23(28)18-7-4-8-21(15-18)31-14-13-17-5-2-1-3-6-17/h1-12,15H,13-14,16H2,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide?
N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide has a molecular weight of 435.44 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-nitrophenoxy)acetyl]-3-(2-phenylethoxy)benzohydrazide is sourced from PubChem (CID 17134509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).