N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide

C14H20FN3O — CID 61223805

IUPACN-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCN(C(C)C(=O)Nc2ccc(F)c(N)c2)C1
InChIInChI=1S/C14H20FN3O/c1-9-5-6-18(8-9)10(2)14(19)17-11-3-4-12(15)13(16)7-11/h3-4,7,9-10H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyWAYXDKRDDIDQGX-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.08
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide

N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide (PubChem CID 61223805) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
PubChem CID61223805
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCN(C(C)C(=O)Nc2ccc(F)c(N)c2)C1
InChIInChI=1S/C14H20FN3O/c1-9-5-6-18(8-9)10(2)14(19)17-11-3-4-12(15)13(16)7-11/h3-4,7,9-10H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyWAYXDKRDDIDQGX-UHFFFAOYSA-N
XLogP2.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.08
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

N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956094
N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104957908
N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800
N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 24506608
N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81098789
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 9444041
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102955990
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159
N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 46630906
N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60500653
(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275552

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide (CID 61223805) is N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide is CC1CCN(C(C)C(=O)Nc2ccc(F)c(N)c2)C1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide?
The InChIKey is WAYXDKRDDIDQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-9-5-6-18(8-9)10(2)14(19)17-11-3-4-12(15)13(16)7-11/h3-4,7,9-10H,5-6,8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide?
N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide has a molecular weight of 265.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 61223805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).