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

C13H18ClFN2O — CID 115761650

IUPACN-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide
SMILESCC(C)(C)NC(=O)CNCc1cc(Cl)ccc1F
InChIInChI=1S/C13H18ClFN2O/c1-13(2,3)17-12(18)8-16-7-9-6-10(14)4-5-11(9)15/h4-6,16H,7-8H2,1-3H3,(H,17,18)
InChIKeyTWBJHGOPYQEQGA-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.48
Rot. Bonds4

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

N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide (PubChem CID 115761650) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide
PubChem CID115761650
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC NameN-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide
SMILESCC(C)(C)NC(=O)CNCc1cc(Cl)ccc1F
InChIInChI=1S/C13H18ClFN2O/c1-13(2,3)17-12(18)8-16-7-9-6-10(14)4-5-11(9)15/h4-6,16H,7-8H2,1-3H3,(H,17,18)
InChIKeyTWBJHGOPYQEQGA-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
CID 55024120
2-[(2-bromo-4-fluorophenyl)methylamino]-N-tert-butylacetamide
CID 81422388
N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
CID 67968196
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555
N-tert-butyl-3-[(5-chloro-2-nitrophenyl)methylamino]propanamide
CID 115642689
N-[(5-chloro-2-fluorophenyl)methyl]-3-oxobutanamide
CID 115176410
N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide
CID 80712468
2-[(5-bromo-2-fluorophenyl)methylamino]-N-methylacetamide
CID 43214414
2-(2-bromo-5-chloroanilino)-N-tert-butylacetamide
CID 81281028
N-tert-butyl-2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide
CID 17054171
2-(5-chloro-2-fluorophenyl)-N'-methylacetohydrazide
CID 116846232
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide (CID 115761650) is N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide is CC(C)(C)NC(=O)CNCc1cc(Cl)ccc1F.
What is the InChIKey of N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide?
The InChIKey is TWBJHGOPYQEQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-13(2,3)17-12(18)8-16-7-9-6-10(14)4-5-11(9)15/h4-6,16H,7-8H2,1-3H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide?
N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide has a molecular weight of 272.75 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-chloro-2-fluorophenyl)methylamino]acetamide is sourced from PubChem (CID 115761650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).