N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide

C12H16ClFN2O — CID 28879721

IUPACN-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide
SMILESCC(C)(C)NC(=O)CNc1cccc(Cl)c1F
InChIInChI=1S/C12H16ClFN2O/c1-12(2,3)16-10(17)7-15-9-6-4-5-8(13)11(9)14/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyJSGMSHWMDAFAGR-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.81
Rot. Bonds3

About N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide

N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide (PubChem CID 28879721) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide
PubChem CID28879721
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC NameN-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide
SMILESCC(C)(C)NC(=O)CNc1cccc(Cl)c1F
InChIInChI=1S/C12H16ClFN2O/c1-12(2,3)16-10(17)7-15-9-6-4-5-8(13)11(9)14/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyJSGMSHWMDAFAGR-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408733
2-(3-chloro-2-fluoroanilino)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47123731
2-(3-chloro-2-fluoroanilino)-N-phenylacetamide
CID 42070736
N-(tert-butylcarbamoyl)-2-(3-chloro-2-methylanilino)acetamide
CID 26507318
2-(3-chloro-2-fluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 33164412
2-(3-chloro-2-fluoroanilino)-N-ethyl-N-methylacetamide
CID 43309689
2-(2-amino-6-chloroanilino)-N-tert-butylacetamide
CID 113293124
3-chloro-N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-fluoroaniline
CID 106437425
2-(2-bromoanilino)-N-tert-butylacetamide
CID 28581046
4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 51254446
N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604948
N-tert-butyl-2-(4-carbamothioyl-2,3-difluoroanilino)acetamide
CID 107935158

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide?
The IUPAC name of N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide (CID 28879721) is N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide?
The canonical SMILES for N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide is CC(C)(C)NC(=O)CNc1cccc(Cl)c1F.
What is the InChIKey of N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide?
The InChIKey is JSGMSHWMDAFAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-12(2,3)16-10(17)7-15-9-6-4-5-8(13)11(9)14/h4-6,15H,7H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide?
N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide has a molecular weight of 258.72 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide is sourced from PubChem (CID 28879721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).