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

C14H20FN3O2 — CID 82732986

IUPACN-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide
SMILESCC1OCCC1N(C)CC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C14H20FN3O2/c1-9-13(5-6-20-9)18(2)8-14(19)17-12-4-3-10(15)7-11(12)16/h3-4,7,9,13H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyISPISWGXXYKKMT-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.46
Rot. Bonds4

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

N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide (PubChem CID 82732986) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide
PubChem CID82732986
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide
SMILESCC1OCCC1N(C)CC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C14H20FN3O2/c1-9-13(5-6-20-9)18(2)8-14(19)17-12-4-3-10(15)7-11(12)16/h3-4,7,9,13H,5-6,8,16H2,1-2H3,(H,17,19)
InChIKeyISPISWGXXYKKMT-UHFFFAOYSA-N
XLogP1.46
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82732171
N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63957144
N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61444129
N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547972
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(4-cyanophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide
CID 82738996
N-(2-amino-5-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43611892
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
5-fluoro-2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoic acid
CID 82754922
N-(2-amino-4-fluorophenyl)-3-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43568695
N-(2-amino-4-fluorophenyl)-2-(N-ethylanilino)acetamide
CID 16788040

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide (CID 82732986) is N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide is CC1OCCC1N(C)CC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide?
The InChIKey is ISPISWGXXYKKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-9-13(5-6-20-9)18(2)8-14(19)17-12-4-3-10(15)7-11(12)16/h3-4,7,9,13H,5-6,8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide?
N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide has a molecular weight of 281.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide is sourced from PubChem (CID 82732986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).