4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide

C11H14FN3O — CID 174879133

IUPAC4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide
SMILESNc1ccc(C(=O)NC2CCNC2)c(F)c1
InChIInChI=1S/C11H14FN3O/c12-10-5-7(13)1-2-9(10)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6,13H2,(H,15,16)
InChIKeyRIVADDSXRAOYJQ-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.50
Rot. Bonds2

About 4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide

4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide (PubChem CID 174879133) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide
PubChem CID174879133
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide
SMILESNc1ccc(C(=O)NC2CCNC2)c(F)c1
InChIInChI=1S/C11H14FN3O/c12-10-5-7(13)1-2-9(10)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6,13H2,(H,15,16)
InChIKeyRIVADDSXRAOYJQ-UHFFFAOYSA-N
XLogP0.50
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
2,3,4-trifluoro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451891
2-bromo-5-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79687966
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449965
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
4-amino-N-(1,1-dioxothian-3-yl)-2-fluorobenzamide
CID 63924658
2-fluoro-4-(4-methylimidazol-1-yl)-N-pyrrolidin-3-ylbenzamide
CID 122590890
4-chloro-2-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 62378983
4-amino-2-fluoro-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 107794023
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide (CID 174879133) is 4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide is Nc1ccc(C(=O)NC2CCNC2)c(F)c1.
What is the InChIKey of 4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide?
The InChIKey is RIVADDSXRAOYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-10-5-7(13)1-2-9(10)11(16)15-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6,13H2,(H,15,16).
What are the key properties of 4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide?
4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide has a molecular weight of 223.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 174879133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).