N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide

C14H20FN3O2 — CID 61407328

IUPACN-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESNc1cc(F)ccc1NC(=O)CCN1CCCC1CO
InChIInChI=1S/C14H20FN3O2/c15-10-3-4-13(12(16)8-10)17-14(20)5-7-18-6-1-2-11(18)9-19/h3-4,8,11,19H,1-2,5-7,9,16H2,(H,17,20)
InChIKeyCMFGNLNACPJILJ-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.19
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide

N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide (PubChem CID 61407328) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
PubChem CID61407328
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
SMILESNc1cc(F)ccc1NC(=O)CCN1CCCC1CO
InChIInChI=1S/C14H20FN3O2/c15-10-3-4-13(12(16)8-10)17-14(20)5-7-18-6-1-2-11(18)9-19/h3-4,8,11,19H,1-2,5-7,9,16H2,(H,17,20)
InChIKeyCMFGNLNACPJILJ-UHFFFAOYSA-N
XLogP1.19
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.19
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-(2-amino-4-fluorophenyl)-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124962
N-(2-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78917112
N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62014163
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577
N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide
CID 61406991
N-(2-amino-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]acetamide
CID 62885358
N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 43619956
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 110921497
N-(4-fluorophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanamide
CID 111103086
N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102955989
N-(4-aminophenyl)-4-[2-(hydroxymethyl)pyrrolidin-1-yl]butanamide
CID 61407133
N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467691

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide (CID 61407328) is N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide is Nc1cc(F)ccc1NC(=O)CCN1CCCC1CO.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is CMFGNLNACPJILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c15-10-3-4-13(12(16)8-10)17-14(20)5-7-18-6-1-2-11(18)9-19/h3-4,8,11,19H,1-2,5-7,9,16H2,(H,17,20).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide?
N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 281.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 61407328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).