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

C12H15ClFNO2 — CID 115140243

IUPACN-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide
SMILESCc1cc(Cl)c(CCN(C)C(=O)CO)cc1F
InChIInChI=1S/C12H15ClFNO2/c1-8-5-10(13)9(6-11(8)14)3-4-15(2)12(17)7-16/h5-6,16H,3-4,7H2,1-2H3
InChIKeyKYXRIYUIKAQCAU-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.78
Rot. Bonds4

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

N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide (PubChem CID 115140243) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide
PubChem CID115140243
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC NameN-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide
SMILESCc1cc(Cl)c(CCN(C)C(=O)CO)cc1F
InChIInChI=1S/C12H15ClFNO2/c1-8-5-10(13)9(6-11(8)14)3-4-15(2)12(17)7-16/h5-6,16H,3-4,7H2,1-2H3
InChIKeyKYXRIYUIKAQCAU-UHFFFAOYSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-N-methylacetamide
CID 115151796
2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide
CID 115140161
3-amino-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-1-methylurea
CID 115192854
4-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]butanoic acid
CID 117045167
methyl 4-(2-chloro-5-fluoro-4-methylphenyl)butanoate
CID 116927514
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84777598
2-chloro-5-fluoro-N-(3-hydroxypropyl)-N,4-dimethylbenzamide
CID 117045026
1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
CID 131118728
methyl 2-amino-4-(2-chloro-5-fluoro-4-methylphenyl)butanoate
CID 116851552
2-[(2-chloro-5-fluoro-4-methylphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133504
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol
CID 115229083

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide?
The IUPAC name of N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide (CID 115140243) is N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide is Cc1cc(Cl)c(CCN(C)C(=O)CO)cc1F.
What is the InChIKey of N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide?
The InChIKey is KYXRIYUIKAQCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-8-5-10(13)9(6-11(8)14)3-4-15(2)12(17)7-16/h5-6,16H,3-4,7H2,1-2H3.
What are the key properties of N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide?
N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide has a molecular weight of 259.71 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-fluoro-4-methylphenyl)ethyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 115140243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).