N-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide

C11H16FN3O — CID 154490618

IUPACN-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)c1ccc(N)c(F)c1
InChIInChI=1S/C11H16FN3O/c1-14(2)7-11(16)15(3)8-4-5-10(13)9(12)6-8/h4-6H,7,13H2,1-3H3
InChIKeyIXMHVXXUOFWZLK-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.93
Rot. Bonds3

About N-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide

N-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide (PubChem CID 154490618) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide
PubChem CID154490618
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)c1ccc(N)c(F)c1
InChIInChI=1S/C11H16FN3O/c1-14(2)7-11(16)15(3)8-4-5-10(13)9(12)6-8/h4-6H,7,13H2,1-3H3
InChIKeyIXMHVXXUOFWZLK-UHFFFAOYSA-N
XLogP0.93
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-2-(dimethylamino)-N-methylacetamide?
The IUPAC name of N-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide (CID 154490618) is N-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide.
What is the SMILES notation for N-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide?
The canonical SMILES for N-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide is CN(C)CC(=O)N(C)c1ccc(N)c(F)c1.
What is the InChIKey of N-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide?
The InChIKey is IXMHVXXUOFWZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-14(2)7-11(16)15(3)8-4-5-10(13)9(12)6-8/h4-6H,7,13H2,1-3H3.
What are the key properties of N-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide?
N-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide has a molecular weight of 225.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide is sourced from PubChem (CID 154490618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).