N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide

C12H16ClFN2O — CID 81483240

IUPACN-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCC(C)(N)CNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFN2O/c1-12(2,15)7-16-11(17)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyJBYWHSJGPYUEBA-UHFFFAOYSA-N
MW258.72 g/mol
LogP1.88
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide

N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 81483240) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID81483240
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC NameN-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESCC(C)(N)CNC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C12H16ClFN2O/c1-12(2,15)7-16-11(17)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyJBYWHSJGPYUEBA-UHFFFAOYSA-N
XLogP1.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]acetamide
CID 99873881
N-(3-aminobutyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 63253339
2-(2-chloro-6-fluorophenyl)-N-[(4-hydroxythian-4-yl)methyl]acetamide
CID 111484750
2-(2-chloro-6-fluorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 113343226
N'-acetyl-2-(2-chloro-6-fluorophenyl)acetohydrazide
CID 30905798
N-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 99999809
N-(2-bromoprop-2-enyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 115594615
(2S)-2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-2-methylbutanoic acid
CID 97161034
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467796
benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
CID 7980436
2-(2-chloro-6-fluorophenyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258587

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide (CID 81483240) is N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide is CC(C)(N)CNC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is JBYWHSJGPYUEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-12(2,15)7-16-11(17)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide?
N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 258.72 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 81483240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).