N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide

C12H11ClF3NO — CID 110604257

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H11ClF3NO/c1-17(11(18)7-2-3-7)10-6-8(12(14,15)16)4-5-9(10)13/h4-7H,2-3H2,1H3
InChIKeyLEVXBYYDTGLHKY-UHFFFAOYSA-N
MW277.67 g/mol
LogP3.73
Rot. Bonds2

About N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide (PubChem CID 110604257) has the molecular formula C12H11ClF3NO and a molecular weight of 277.67 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide
PubChem CID110604257
Molecular FormulaC12H11ClF3NO
Molecular Weight277.67 g/mol
Exact Mass277.05
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H11ClF3NO/c1-17(11(18)7-2-3-7)10-6-8(12(14,15)16)4-5-9(10)13/h4-7H,2-3H2,1H3
InChIKeyLEVXBYYDTGLHKY-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide (CID 110604257) is N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide is CN(C(=O)C1CC1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide?
The InChIKey is LEVXBYYDTGLHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO/c1-17(11(18)7-2-3-7)10-6-8(12(14,15)16)4-5-9(10)13/h4-7H,2-3H2,1H3.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide has a molecular weight of 277.67 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 110604257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).