N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide

C15H22FN3O2 — CID 61430870

IUPACN-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(F)c(N)c1)CC1CCCO1
InChIInChI=1S/C15H22FN3O2/c1-19(10-12-3-2-8-21-12)7-6-15(20)18-11-4-5-13(16)14(17)9-11/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeySWRSRJCXWMGUGP-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.85
Rot. Bonds6

About N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide

N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide (PubChem CID 61430870) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
PubChem CID61430870
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(F)c(N)c1)CC1CCCO1
InChIInChI=1S/C15H22FN3O2/c1-19(10-12-3-2-8-21-12)7-6-15(20)18-11-4-5-13(16)14(17)9-11/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeySWRSRJCXWMGUGP-UHFFFAOYSA-N
XLogP1.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.85
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)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide (CID 61430870) is N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide is CN(CCC(=O)Nc1ccc(F)c(N)c1)CC1CCCO1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide?
The InChIKey is SWRSRJCXWMGUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-19(10-12-3-2-8-21-12)7-6-15(20)18-11-4-5-13(16)14(17)9-11/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide?
N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide has a molecular weight of 295.36 g/mol, XLogP of 1.85, 6 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)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 61430870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).