N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide

C10H8ClF4NO — CID 115190282

IUPACN-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide
SMILESCc1cc(Cl)c(CNC(=O)C(F)(F)F)cc1F
InChIInChI=1S/C10H8ClF4NO/c1-5-2-7(11)6(3-8(5)12)4-16-9(17)10(13,14)15/h2-3H,4H2,1H3,(H,16,17)
InChIKeyIWNNEDJNVXIUEX-UHFFFAOYSA-N
MW269.63 g/mol
LogP2.97
Rot. Bonds2

About N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide

N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 115190282) has the molecular formula C10H8ClF4NO and a molecular weight of 269.63 g/mol. Its IUPAC name is N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide
PubChem CID115190282
Molecular FormulaC10H8ClF4NO
Molecular Weight269.63 g/mol
Exact Mass269.02
IUPAC NameN-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide
SMILESCc1cc(Cl)c(CNC(=O)C(F)(F)F)cc1F
InChIInChI=1S/C10H8ClF4NO/c1-5-2-7(11)6(3-8(5)12)4-16-9(17)10(13,14)15/h2-3H,4H2,1H3,(H,16,17)
InChIKeyIWNNEDJNVXIUEX-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.63
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]carbamoyl bromide
CID 115193690
3-[(2-chloro-5-fluoro-4-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163441
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-hydroxypropanamide
CID 115140743
2-amino-N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179929
2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide
CID 115190257
[(2-chloro-5-fluoro-4-methylphenyl)methylamino]methanol
CID 115229083
(2-chloro-5-fluoro-4-methylphenyl)methylhydrazine
CID 116932376
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190275
1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
CID 131118728
2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide
CID 115190244
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide
CID 55137134

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide (CID 115190282) is N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide is Cc1cc(Cl)c(CNC(=O)C(F)(F)F)cc1F.
What is the InChIKey of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is IWNNEDJNVXIUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4NO/c1-5-2-7(11)6(3-8(5)12)4-16-9(17)10(13,14)15/h2-3H,4H2,1H3,(H,16,17).
What are the key properties of N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide?
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 269.63 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 115190282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).