2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide

C15H21ClFN3O2 — CID 8768024

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(Cl)ccc1F)CC(=O)NC(C)(C)C
InChIInChI=1S/C15H21ClFN3O2/c1-15(2,3)19-14(22)9-20(4)8-13(21)18-12-7-10(16)5-6-11(12)17/h5-7H,8-9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyHGBOESPGBSKFAG-UHFFFAOYSA-N
MW329.80 g/mol
LogP2.26
Rot. Bonds5

About 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide (PubChem CID 8768024) has the molecular formula C15H21ClFN3O2 and a molecular weight of 329.80 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide
PubChem CID8768024
Molecular FormulaC15H21ClFN3O2
Molecular Weight329.80 g/mol
Exact Mass329.13
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(Cl)ccc1F)CC(=O)NC(C)(C)C
InChIInChI=1S/C15H21ClFN3O2/c1-15(2,3)19-14(22)9-20(4)8-13(21)18-12-7-10(16)5-6-11(12)17/h5-7H,8-9H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyHGBOESPGBSKFAG-UHFFFAOYSA-N
XLogP2.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 9037147
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,5-trichlorophenyl)acetamide
CID 8756684
N-(5-chloro-2-fluorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 51171851
1-tert-butyl-3-(5-chloro-2-fluorophenyl)urea
CID 78786317
N-(5-chloro-2-fluorophenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221530
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 8766799
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8756798
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 9166949
N-(5-chloro-2-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054913
N-(5-chloro-2-fluorophenyl)-2-(N,3,5-trimethylanilino)acetamide
CID 52689468
methyl 2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]acetate
CID 60660360

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide (CID 8768024) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide is CN(CC(=O)Nc1cc(Cl)ccc1F)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide?
The InChIKey is HGBOESPGBSKFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN3O2/c1-15(2,3)19-14(22)9-20(4)8-13(21)18-12-7-10(16)5-6-11(12)17/h5-7H,8-9H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide has a molecular weight of 329.80 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-fluorophenyl)acetamide is sourced from PubChem (CID 8768024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).