2-amino-4-fluoro-N-pyrrol-1-ylbenzamide

C11H10FN3O — CID 79106169

IUPAC2-amino-4-fluoro-N-pyrrol-1-ylbenzamide
SMILESNc1cc(F)ccc1C(=O)Nn1cccc1
InChIInChI=1S/C11H10FN3O/c12-8-3-4-9(10(13)7-8)11(16)14-15-5-1-2-6-15/h1-7H,13H2,(H,14,16)
InChIKeyWSLGPTDMCKMOBZ-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.59
Rot. Bonds2

About 2-amino-4-fluoro-N-pyrrol-1-ylbenzamide

2-amino-4-fluoro-N-pyrrol-1-ylbenzamide (PubChem CID 79106169) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-pyrrol-1-ylbenzamide
PubChem CID79106169
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-amino-4-fluoro-N-pyrrol-1-ylbenzamide
SMILESNc1cc(F)ccc1C(=O)Nn1cccc1
InChIInChI=1S/C11H10FN3O/c12-8-3-4-9(10(13)7-8)11(16)14-15-5-1-2-6-15/h1-7H,13H2,(H,14,16)
InChIKeyWSLGPTDMCKMOBZ-UHFFFAOYSA-N
XLogP1.59
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide
CID 79106798
2-amino-4-fluoro-N-hydroxybenzamide
CID 11593504
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
CID 63109717
2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
CID 83120721
2-amino-4-fluoro-N-(2-methylphenyl)benzamide
CID 62060652
2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
CID 55177097
2-amino-N-(cyanomethyl)-4-fluorobenzamide
CID 63110564
2-amino-4-fluoro-N-prop-2-ynylbenzamide
CID 62074165
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018
2-amino-4-fluoro-N-thiophen-3-ylbenzamide
CID 66354589
methyl 2-[(2-amino-4-fluorobenzoyl)amino]benzoate
CID 63109743

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-pyrrol-1-ylbenzamide?
The IUPAC name of 2-amino-4-fluoro-N-pyrrol-1-ylbenzamide (CID 79106169) is 2-amino-4-fluoro-N-pyrrol-1-ylbenzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-pyrrol-1-ylbenzamide?
The canonical SMILES for 2-amino-4-fluoro-N-pyrrol-1-ylbenzamide is Nc1cc(F)ccc1C(=O)Nn1cccc1.
What is the InChIKey of 2-amino-4-fluoro-N-pyrrol-1-ylbenzamide?
The InChIKey is WSLGPTDMCKMOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-8-3-4-9(10(13)7-8)11(16)14-15-5-1-2-6-15/h1-7H,13H2,(H,14,16).
What are the key properties of 2-amino-4-fluoro-N-pyrrol-1-ylbenzamide?
2-amino-4-fluoro-N-pyrrol-1-ylbenzamide has a molecular weight of 219.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-pyrrol-1-ylbenzamide is sourced from PubChem (CID 79106169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).