4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide

C13H11ClFN3O2 — CID 31726060

IUPAC4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C13H11ClFN3O2/c14-9-6-11(16-7-9)13(20)18-17-12(19)5-8-1-3-10(15)4-2-8/h1-4,6-7,16H,5H2,(H,17,19)(H,18,20)
InChIKeyRVVQJZDJPLOIDJ-UHFFFAOYSA-N
MW295.70 g/mol
LogP1.81
Rot. Bonds3

About 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide

4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 31726060) has the molecular formula C13H11ClFN3O2 and a molecular weight of 295.70 g/mol. Its IUPAC name is 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide
PubChem CID31726060
Molecular FormulaC13H11ClFN3O2
Molecular Weight295.70 g/mol
Exact Mass295.05
IUPAC Name4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C13H11ClFN3O2/c14-9-6-11(16-7-9)13(20)18-17-12(19)5-8-1-3-10(15)4-2-8/h1-4,6-7,16H,5H2,(H,17,19)(H,18,20)
InChIKeyRVVQJZDJPLOIDJ-UHFFFAOYSA-N
XLogP1.81
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide
CID 18106742
4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256765
methyl (2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate
CID 97242583
N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 31598614
4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide
CID 75413422
4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 87020258
5-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]furan-2-carbohydrazide
CID 31725805
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 41483998
4-bromo-N'-[2-(4-fluorophenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide
CID 9256313
4-bromo-N'-(2-naphthalen-2-ylacetyl)-1H-pyrrole-2-carbohydrazide
CID 9256579
1-(3-chlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]cyclopropane-1-carbohydrazide
CID 35694725
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide (CID 31726060) is 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is RVVQJZDJPLOIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O2/c14-9-6-11(16-7-9)13(20)18-17-12(19)5-8-1-3-10(15)4-2-8/h1-4,6-7,16H,5H2,(H,17,19)(H,18,20).
What are the key properties of 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide?
4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 295.70 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 31726060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).