N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide

C13H18FN3O2 — CID 55131164

IUPACN-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide
SMILESNc1cc(NC(=O)CCN2CCC(O)C2)ccc1F
InChIInChI=1S/C13H18FN3O2/c14-11-2-1-9(7-12(11)15)16-13(19)4-6-17-5-3-10(18)8-17/h1-2,7,10,18H,3-6,8,15H2,(H,16,19)
InChIKeyUVMXHQPRYWKLDC-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.80
Rot. Bonds4

About N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide

N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide (PubChem CID 55131164) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide
PubChem CID55131164
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide
SMILESNc1cc(NC(=O)CCN2CCC(O)C2)ccc1F
InChIInChI=1S/C13H18FN3O2/c14-11-2-1-9(7-12(11)15)16-13(19)4-6-17-5-3-10(18)8-17/h1-2,7,10,18H,3-6,8,15H2,(H,16,19)
InChIKeyUVMXHQPRYWKLDC-UHFFFAOYSA-N
XLogP0.80
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.80
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-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
N-(3,4-difluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 30101240
N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956413
N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530777
N-(4-cyanophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962066
N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide
CID 61406991
N-(2,5-dichlorophenyl)-3-[(3S)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78962492
N-(3-amino-4-chlorophenyl)-4-(3-hydroxypiperidin-1-yl)butanamide
CID 43575264
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
N-(3-amino-4-chlorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 115964909
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide (CID 55131164) is N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide is Nc1cc(NC(=O)CCN2CCC(O)C2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide?
The InChIKey is UVMXHQPRYWKLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c14-11-2-1-9(7-12(11)15)16-13(19)4-6-17-5-3-10(18)8-17/h1-2,7,10,18H,3-6,8,15H2,(H,16,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide?
N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide has a molecular weight of 267.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide is sourced from PubChem (CID 55131164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).