N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide

C12H15FN2O3 — CID 63557017

IUPACN-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide
SMILESNc1cc(F)ccc1NC(=O)COC1CCOC1
InChIInChI=1S/C12H15FN2O3/c13-8-1-2-11(10(14)5-8)15-12(16)7-18-9-3-4-17-6-9/h1-2,5,9H,3-4,6-7,14H2,(H,15,16)
InChIKeyQMJWJVCIDLPUTI-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.15
Rot. Bonds4

About N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide

N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide (PubChem CID 63557017) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide
PubChem CID63557017
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide
SMILESNc1cc(F)ccc1NC(=O)COC1CCOC1
InChIInChI=1S/C12H15FN2O3/c13-8-1-2-11(10(14)5-8)15-12(16)7-18-9-3-4-17-6-9/h1-2,5,9H,3-4,6-7,14H2,(H,15,16)
InChIKeyQMJWJVCIDLPUTI-UHFFFAOYSA-N
XLogP1.15
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.15
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-(5-amino-2-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556820
N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide
CID 61288778
N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63556620
N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 55218804
N-(2-amino-4,6-dichlorophenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556430
N-(4-amino-2-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61289356
N-(2-amino-4-fluorophenyl)-4-(oxan-4-ylsulfanyl)butanamide
CID 62994992
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)acetamide
CID 63557224
1-(3-fluorophenyl)-2-(oxolan-3-yloxy)ethanone
CID 63559072
N-(2-amino-4-methylphenyl)-2-cyclopentyloxyacetamide
CID 43376331
N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide
CID 82004220
N-(2-amino-4-fluorophenyl)-2-(3-fluorophenoxy)acetamide
CID 16796146

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide (CID 63557017) is N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide is Nc1cc(F)ccc1NC(=O)COC1CCOC1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide?
The InChIKey is QMJWJVCIDLPUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-8-1-2-11(10(14)5-8)15-12(16)7-18-9-3-4-17-6-9/h1-2,5,9H,3-4,6-7,14H2,(H,15,16).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide?
N-(2-amino-4-fluorophenyl)-2-(oxolan-3-yloxy)acetamide has a molecular weight of 254.26 g/mol, XLogP of 1.15, 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-(oxolan-3-yloxy)acetamide is sourced from PubChem (CID 63557017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).