N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide

C18H15N3O3 — CID 78813077

IUPACN'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Oc1ccccc1)c1ccc[nH]1
InChIInChI=1S/C18H15N3O3/c22-17(20-21-18(23)15-10-6-12-19-15)14-9-4-5-11-16(14)24-13-7-2-1-3-8-13/h1-12,19H,(H,20,22)(H,21,23)
InChIKeyHOVQYUDVPWGEHJ-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.88
Rot. Bonds4

About N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide

N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 78813077) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID78813077
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1Oc1ccccc1)c1ccc[nH]1
InChIInChI=1S/C18H15N3O3/c22-17(20-21-18(23)15-10-6-12-19-15)14-9-4-5-11-16(14)24-13-7-2-1-3-8-13/h1-12,19H,(H,20,22)(H,21,23)
InChIKeyHOVQYUDVPWGEHJ-UHFFFAOYSA-N
XLogP2.88
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,2-dimethylpropanoyl)-2-phenoxybenzohydrazide
CID 11045196
2-phenoxy-N-phenylbenzamide
CID 3402306
N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78836860
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
2-[(2-phenoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 1251991
N-benzhydryl-2-phenoxybenzamide
CID 3401619
N'-(2-pyrazol-1-ylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78887623
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007
N-pentan-3-yl-2-phenoxybenzamide
CID 884731
phenyl 2-phenoxybenzoate
CID 2471273
N'-[2-(tetrazol-1-yl)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78828822
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453

Frequently Asked Questions

What is the IUPAC name of N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide (CID 78813077) is N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide is O=C(NNC(=O)c1ccccc1Oc1ccccc1)c1ccc[nH]1.
What is the InChIKey of N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is HOVQYUDVPWGEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-17(20-21-18(23)15-10-6-12-19-15)14-9-4-5-11-16(14)24-13-7-2-1-3-8-13/h1-12,19H,(H,20,22)(H,21,23).
What are the key properties of N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 321.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78813077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).