N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

C15H22FN3O2 — CID 62467691

IUPACN-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESNc1ccc(F)cc1NC(=O)CN1CCCC1CCCO
InChIInChI=1S/C15H22FN3O2/c16-11-5-6-13(17)14(9-11)18-15(21)10-19-7-1-3-12(19)4-2-8-20/h5-6,9,12,20H,1-4,7-8,10,17H2,(H,18,21)
InChIKeyUCTHZTAEFASIRX-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.58
Rot. Bonds6

About N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (PubChem CID 62467691) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
PubChem CID62467691
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESNc1ccc(F)cc1NC(=O)CN1CCCC1CCCO
InChIInChI=1S/C15H22FN3O2/c16-11-5-6-13(17)14(9-11)18-15(21)10-19-7-1-3-12(19)4-2-8-20/h5-6,9,12,20H,1-4,7-8,10,17H2,(H,18,21)
InChIKeyUCTHZTAEFASIRX-UHFFFAOYSA-N
XLogP1.58
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467277
N-(4-chloro-2-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62466914
N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467867
N-(2-amino-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]acetamide
CID 62885358
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111431815
N-(2,3-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62466913
3-[1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 64769785
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110918990
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 110919010
N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882932
N-(2-amino-5-fluorophenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43612167
N-(2,5-difluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928417

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (CID 62467691) is N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is Nc1ccc(F)cc1NC(=O)CN1CCCC1CCCO.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The InChIKey is UCTHZTAEFASIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c16-11-5-6-13(17)14(9-11)18-15(21)10-19-7-1-3-12(19)4-2-8-20/h5-6,9,12,20H,1-4,7-8,10,17H2,(H,18,21).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide has a molecular weight of 295.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 62467691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).