N-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide

C11H13Cl2FN2O — CID 67957110

IUPACN-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCc1ccc(Cl)c(N)c1Cl
InChIInChI=1S/C11H13Cl2FN2O/c1-11(2,14)10(17)16-5-6-3-4-7(12)9(15)8(6)13/h3-4H,5,15H2,1-2H3,(H,16,17)
InChIKeyJAYGKUORAWJJFG-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.94
Rot. Bonds3

About N-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide

N-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide (PubChem CID 67957110) has the molecular formula C11H13Cl2FN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is N-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide
PubChem CID67957110
Molecular FormulaC11H13Cl2FN2O
Molecular Weight279.14 g/mol
Exact Mass278.04
IUPAC NameN-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCc1ccc(Cl)c(N)c1Cl
InChIInChI=1S/C11H13Cl2FN2O/c1-11(2,14)10(17)16-5-6-3-4-7(12)9(15)8(6)13/h3-4H,5,15H2,1-2H3,(H,16,17)
InChIKeyJAYGKUORAWJJFG-UHFFFAOYSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.94
H-Bond Donors ≤ 52
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-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide?
The IUPAC name of N-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide (CID 67957110) is N-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide is CC(C)(F)C(=O)NCc1ccc(Cl)c(N)c1Cl.
What is the InChIKey of N-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide?
The InChIKey is JAYGKUORAWJJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2O/c1-11(2,14)10(17)16-5-6-3-4-7(12)9(15)8(6)13/h3-4H,5,15H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide?
N-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide has a molecular weight of 279.14 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2,4-dichlorophenyl)methyl]-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 67957110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).