N-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide

C10H13FN2O — CID 70332418

IUPACN-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc(N)c(F)c1
InChIInChI=1S/C10H13FN2O/c1-7(14)13(2)6-8-3-4-10(12)9(11)5-8/h3-5H,6,12H2,1-2H3
InChIKeyUJVHWNQDSZDFMH-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.39
Rot. Bonds2

About N-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide

N-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 70332418) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is N-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide
PubChem CID70332418
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC NameN-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc(N)c(F)c1
InChIInChI=1S/C10H13FN2O/c1-7(14)13(2)6-8-3-4-10(12)9(11)5-8/h3-5H,6,12H2,1-2H3
InChIKeyUJVHWNQDSZDFMH-UHFFFAOYSA-N
XLogP1.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide (CID 70332418) is N-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccc(N)c(F)c1.
What is the InChIKey of N-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is UJVHWNQDSZDFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-7(14)13(2)6-8-3-4-10(12)9(11)5-8/h3-5H,6,12H2,1-2H3.
What are the key properties of N-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide?
N-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 196.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-3-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 70332418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).