N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide

C23H19N3O3 — CID 9314038

IUPACN'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C23H19N3O3/c27-22(16-29-19-12-11-17-7-1-2-8-18(17)15-19)24-25-23(28)20-9-3-4-10-21(20)26-13-5-6-14-26/h1-15H,16H2,(H,24,27)(H,25,28)
InChIKeyOLXJRGPJDHLGNJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.47
Rot. Bonds5

About N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide

N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide (PubChem CID 9314038) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide
PubChem CID9314038
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide
SMILESO=C(COc1ccc2ccccc2c1)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C23H19N3O3/c27-22(16-29-19-12-11-17-7-1-2-8-18(17)15-19)24-25-23(28)20-9-3-4-10-21(20)26-13-5-6-14-26/h1-15H,16H2,(H,24,27)(H,25,28)
InChIKeyOLXJRGPJDHLGNJ-UHFFFAOYSA-N
XLogP3.47
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314043
N'-(2-naphthalen-2-yloxyacetyl)-2-prop-2-enoxybenzohydrazide
CID 4929060
N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide
CID 9313933
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
5-bromo-2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 17094356
4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
3-iodo-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 3108609
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152
N'-(2-naphthalen-2-yloxyacetyl)-4-propan-2-yloxybenzohydrazide
CID 4952087
N-[2-[[(2-naphthalen-2-yloxyacetyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698715
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369

Frequently Asked Questions

What is the IUPAC name of N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide (CID 9314038) is N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide is O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccccc1-n1cccc1.
What is the InChIKey of N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide?
The InChIKey is OLXJRGPJDHLGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-22(16-29-19-12-11-17-7-1-2-8-18(17)15-19)24-25-23(28)20-9-3-4-10-21(20)26-13-5-6-14-26/h1-15H,16H2,(H,24,27)(H,25,28).
What are the key properties of N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide?
N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide has a molecular weight of 385.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 9314038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).