N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide

C22H21F2N3O2 — CID 55616762

IUPACN'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCc2ccc(F)c(F)c2)c(C)n1-c1ccccc1
InChIInChI=1S/C22H21F2N3O2/c1-14-12-18(15(2)27(14)17-6-4-3-5-7-17)22(29)26-25-21(28)11-9-16-8-10-19(23)20(24)13-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyIBVKQGLOPVRVNY-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.77
Rot. Bonds5

About N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide

N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide (PubChem CID 55616762) has the molecular formula C22H21F2N3O2 and a molecular weight of 397.43 g/mol. Its IUPAC name is N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
PubChem CID55616762
Molecular FormulaC22H21F2N3O2
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCc2ccc(F)c(F)c2)c(C)n1-c1ccccc1
InChIInChI=1S/C22H21F2N3O2/c1-14-12-18(15(2)27(14)17-6-4-3-5-7-17)22(29)26-25-21(28)11-9-16-8-10-19(23)20(24)13-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyIBVKQGLOPVRVNY-UHFFFAOYSA-N
XLogP3.77
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-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

2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
CID 40714000
N'-[3-(4-cyanophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 41388627
N'-(3,4-difluorobenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 40673432
2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide
CID 40713988
2,5-dimethyl-N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]-1-phenylpyrrole-3-carbohydrazide
CID 55712838
N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683785
2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
CID 32577143
N-[2-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 24540815
4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580
N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683540
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 78841466
methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The IUPAC name of N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide (CID 55616762) is N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide.
What is the SMILES notation for N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The canonical SMILES for N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)CCc2ccc(F)c(F)c2)c(C)n1-c1ccccc1.
What is the InChIKey of N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The InChIKey is IBVKQGLOPVRVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O2/c1-14-12-18(15(2)27(14)17-6-4-3-5-7-17)22(29)26-25-21(28)11-9-16-8-10-19(23)20(24)13-16/h3-8,10,12-13H,9,11H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide has a molecular weight of 397.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide is sourced from PubChem (CID 55616762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).