2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide

C11H15F2N3O — CID 54939182

IUPAC2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccc(N)cc1)CC(F)F
InChIInChI=1S/C11H15F2N3O/c12-10(13)6-16(7-11(15)17)5-8-1-3-9(14)4-2-8/h1-4,10H,5-7,14H2,(H2,15,17)
InChIKeyPMNKZWIPUVSXQB-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.82
Rot. Bonds6

About 2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide

2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide (PubChem CID 54939182) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
PubChem CID54939182
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccc(N)cc1)CC(F)F
InChIInChI=1S/C11H15F2N3O/c12-10(13)6-16(7-11(15)17)5-8-1-3-9(14)4-2-8/h1-4,10H,5-7,14H2,(H2,15,17)
InChIKeyPMNKZWIPUVSXQB-UHFFFAOYSA-N
XLogP0.82
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939184
2-[(4-aminophenyl)methyl-[2-(methylamino)-2-oxoethyl]amino]acetamide
CID 43384149
2-[(4-aminophenyl)methyl-(thiophen-3-ylmethyl)amino]acetamide
CID 43646268
2-[(4-aminophenyl)methyl-(2-propan-2-yloxyethyl)amino]acetamide
CID 61485337
2-[(4-aminophenyl)methyl-(2-ethylsulfanylethyl)amino]acetamide
CID 113473702
3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 62628056
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
CID 43461145
4-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-methylbutanamide
CID 63890364
2-[(4-aminophenyl)methyl-(3-cyano-3-methylbutyl)amino]acetamide
CID 65253078
2-[(4-aminophenyl)methyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]acetamide
CID 61487456
2-[(4-cyanophenyl)methyl-(2-methylpropyl)amino]acetamide
CID 54942559
2-[2-aminoethyl(2,2-difluoroethyl)amino]acetamide
CID 107494484

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide (CID 54939182) is 2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide is NC(=O)CN(Cc1ccc(N)cc1)CC(F)F.
What is the InChIKey of 2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide?
The InChIKey is PMNKZWIPUVSXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-10(13)6-16(7-11(15)17)5-8-1-3-9(14)4-2-8/h1-4,10H,5-7,14H2,(H2,15,17).
What are the key properties of 2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide?
2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide has a molecular weight of 243.26 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide is sourced from PubChem (CID 54939182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).