N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide

C15H23FN4O — CID 79304499

IUPACN-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(N)c1)CC1CCCN1C
InChIInChI=1S/C15H23FN4O/c1-19(9-12-4-3-7-20(12)2)10-15(21)18-11-5-6-13(16)14(17)8-11/h5-6,8,12H,3-4,7,9-10,17H2,1-2H3,(H,18,21)
InChIKeyAFPVOTWBQUEMOP-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.37
Rot. Bonds5

About N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide

N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide (PubChem CID 79304499) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
PubChem CID79304499
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC NameN-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(N)c1)CC1CCCN1C
InChIInChI=1S/C15H23FN4O/c1-19(9-12-4-3-7-20(12)2)10-15(21)18-11-5-6-13(16)14(17)8-11/h5-6,8,12H,3-4,7,9-10,17H2,1-2H3,(H,18,21)
InChIKeyAFPVOTWBQUEMOP-UHFFFAOYSA-N
XLogP1.37
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide (CID 79304499) is N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide is CN(CC(=O)Nc1ccc(F)c(N)c1)CC1CCCN1C.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide?
The InChIKey is AFPVOTWBQUEMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-19(9-12-4-3-7-20(12)2)10-15(21)18-11-5-6-13(16)14(17)8-11/h5-6,8,12H,3-4,7,9-10,17H2,1-2H3,(H,18,21).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide?
N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide has a molecular weight of 294.37 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 79304499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).