N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide

C21H21N3O3 — CID 9313933

IUPACN'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide
SMILESCc1ccc(OCCC(=O)NNC(=O)c2ccccc2-n2cccc2)cc1
InChIInChI=1S/C21H21N3O3/c1-16-8-10-17(11-9-16)27-15-12-20(25)22-23-21(26)18-6-2-3-7-19(18)24-13-4-5-14-24/h2-11,13-14H,12,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyAIPMOAYTLHPRDU-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.02
Rot. Bonds6

About N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide

N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide (PubChem CID 9313933) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide
PubChem CID9313933
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide
SMILESCc1ccc(OCCC(=O)NNC(=O)c2ccccc2-n2cccc2)cc1
InChIInChI=1S/C21H21N3O3/c1-16-8-10-17(11-9-16)27-15-12-20(25)22-23-21(26)18-6-2-3-7-19(18)24-13-4-5-14-24/h2-11,13-14H,12,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyAIPMOAYTLHPRDU-UHFFFAOYSA-N
XLogP3.02
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.02
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'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide
CID 9314038
N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314043
N'-[3-(3,5-dimethylphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 134060211
N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567008
3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 18273997
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(4-methylphenoxy)propanehydrazide
CID 7969751
3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide
CID 7677873
N'-[2-(4-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931603
1-(2-fluorophenyl)-3-[3-(4-methylphenoxy)propanoylamino]thiourea
CID 9468541
3-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 7978332
N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
CID 4807845

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide (CID 9313933) is N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide is Cc1ccc(OCCC(=O)NNC(=O)c2ccccc2-n2cccc2)cc1.
What is the InChIKey of N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide?
The InChIKey is AIPMOAYTLHPRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-16-8-10-17(11-9-16)27-15-12-20(25)22-23-21(26)18-6-2-3-7-19(18)24-13-4-5-14-24/h2-11,13-14H,12,15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide?
N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide has a molecular weight of 363.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 9313933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).