2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide

C12H16ClFN2O — CID 115151796

IUPAC2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide
SMILESCc1cc(Cl)c(CCN(C)C(=O)CN)cc1F
InChIInChI=1S/C12H16ClFN2O/c1-8-5-10(13)9(6-11(8)14)3-4-16(2)12(17)7-15/h5-6H,3-4,7,15H2,1-2H3
InChIKeyNELYPHVQRLYGEX-UHFFFAOYSA-N
MW258.72 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide

2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide (PubChem CID 115151796) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide
PubChem CID115151796
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide
SMILESCc1cc(Cl)c(CCN(C)C(=O)CN)cc1F
InChIInChI=1S/C12H16ClFN2O/c1-8-5-10(13)9(6-11(8)14)3-4-16(2)12(17)7-15/h5-6H,3-4,7,15H2,1-2H3
InChIKeyNELYPHVQRLYGEX-UHFFFAOYSA-N
XLogP1.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide (CID 115151796) is 2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide is Cc1cc(Cl)c(CCN(C)C(=O)CN)cc1F.
What is the InChIKey of 2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide?
The InChIKey is NELYPHVQRLYGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-8-5-10(13)9(6-11(8)14)3-4-16(2)12(17)7-15/h5-6H,3-4,7,15H2,1-2H3.
What are the key properties of 2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide?
2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide has a molecular weight of 258.72 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 115151796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).