N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide

C14H13Cl2N3O3 — CID 78893897

IUPACN'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C14H13Cl2N3O3/c1-8(22-9-4-5-10(15)11(16)7-9)13(20)18-19-14(21)12-3-2-6-17-12/h2-8,17H,1H3,(H,18,20)(H,19,21)
InChIKeyXTKZWBANAVFBJO-UHFFFAOYSA-N
MW342.18 g/mol
LogP2.55
Rot. Bonds4

About N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide

N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78893897) has the molecular formula C14H13Cl2N3O3 and a molecular weight of 342.18 g/mol. Its IUPAC name is N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78893897
Molecular FormulaC14H13Cl2N3O3
Molecular Weight342.18 g/mol
Exact Mass341.03
IUPAC NameN'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C14H13Cl2N3O3/c1-8(22-9-4-5-10(15)11(16)7-9)13(20)18-19-14(21)12-3-2-6-17-12/h2-8,17H,1H3,(H,18,20)(H,19,21)
InChIKeyXTKZWBANAVFBJO-UHFFFAOYSA-N
XLogP2.55
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 52.55
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

4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide
CID 55821337
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
N'-(2,2-dichloroacetyl)-1H-pyrrole-2-carbohydrazide
CID 12587939
N'-[2-(2,2,2-trifluoroethoxy)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78872257
2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 112835127
2,5-dichloro-N'-(2-phenoxypropanoyl)benzohydrazide
CID 18158718
3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide
CID 17169474
2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 78889646
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
2-(3,4-dichlorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 110895980
3,5-dichloro-4-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 55405875

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide (CID 78893897) is N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1ccc[nH]1.
What is the InChIKey of N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is XTKZWBANAVFBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O3/c1-8(22-9-4-5-10(15)11(16)7-9)13(20)18-19-14(21)12-3-2-6-17-12/h2-8,17H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide?
N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 342.18 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dichlorophenoxy)propanoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78893897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).