2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide

C12H16ClFN2O — CID 115260376

IUPAC2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCC(C)(CNCC(N)=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFN2O/c1-12(2,7-16-6-11(15)17)9-5-8(13)3-4-10(9)14/h3-5,16H,6-7H2,1-2H3,(H2,15,17)
InChIKeyPHLBRNWZLBAOJM-UHFFFAOYSA-N
MW258.72 g/mol
LogP1.83
Rot. Bonds5

About 2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide

2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide (PubChem CID 115260376) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide
PubChem CID115260376
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCC(C)(CNCC(N)=O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H16ClFN2O/c1-12(2,7-16-6-11(15)17)9-5-8(13)3-4-10(9)14/h3-5,16H,6-7H2,1-2H3,(H2,15,17)
InChIKeyPHLBRNWZLBAOJM-UHFFFAOYSA-N
XLogP1.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]acetamide
CID 115260324
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]propan-2-one
CID 115235320
2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]acetamide
CID 115260344
2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]acetic acid
CID 115218193
N-(chloromethyl)-2-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 115263650
2-(5-chloro-2-fluorophenyl)-2-methylpropanehydrazide
CID 116844040
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol
CID 115137230
2-tert-butyl-4-chloro-1-fluorobenzene
CID 58745497
2-[[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]amino]acetamide
CID 115260325
2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine
CID 115262615
methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate
CID 115233215
N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197606

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide?
The IUPAC name of 2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide (CID 115260376) is 2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for 2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide is CC(C)(CNCC(N)=O)c1cc(Cl)ccc1F.
What is the InChIKey of 2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide?
The InChIKey is PHLBRNWZLBAOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-12(2,7-16-6-11(15)17)9-5-8(13)3-4-10(9)14/h3-5,16H,6-7H2,1-2H3,(H2,15,17).
What are the key properties of 2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide?
2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide has a molecular weight of 258.72 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2-fluorophenyl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 115260376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).