N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide

C19H16ClN3O3 — CID 9314043

IUPACN'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide
SMILESO=C(COc1ccccc1Cl)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C19H16ClN3O3/c20-15-8-2-4-10-17(15)26-13-18(24)21-22-19(25)14-7-1-3-9-16(14)23-11-5-6-12-23/h1-12H,13H2,(H,21,24)(H,22,25)
InChIKeyJLVADVBZFINNAG-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.97
Rot. Bonds5

About N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide

N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide (PubChem CID 9314043) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide
PubChem CID9314043
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC NameN'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide
SMILESO=C(COc1ccccc1Cl)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C19H16ClN3O3/c20-15-8-2-4-10-17(15)26-13-18(24)21-22-19(25)14-7-1-3-9-16(14)23-11-5-6-12-23/h1-12H,13H2,(H,21,24)(H,22,25)
InChIKeyJLVADVBZFINNAG-UHFFFAOYSA-N
XLogP2.97
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.97
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-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide
CID 9314038
N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929148
2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzamide
CID 9085660
2-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 134095807
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-methoxybenzamide
CID 4980812
N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139333
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 7601129
N'-[2-(2-chloro-4-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27698260
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-ethoxybenzamide
CID 4927105
N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide
CID 9313933

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide (CID 9314043) is N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide is O=C(COc1ccccc1Cl)NNC(=O)c1ccccc1-n1cccc1.
What is the InChIKey of N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide?
The InChIKey is JLVADVBZFINNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c20-15-8-2-4-10-17(15)26-13-18(24)21-22-19(25)14-7-1-3-9-16(14)23-11-5-6-12-23/h1-12H,13H2,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide?
N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide has a molecular weight of 369.81 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)acetyl]-2-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 9314043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).