N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide

C13H14F3NO — CID 121446661

IUPACN,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1cc(F)cc(F)c1F)C(=O)C1(C)CC1
InChIInChI=1S/C13H14F3NO/c1-13(3-4-13)12(18)17(2)7-8-5-9(14)6-10(15)11(8)16/h5-6H,3-4,7H2,1-2H3
InChIKeyRZDXPHREJSKVBA-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.86
Rot. Bonds3

About N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide

N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 121446661) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide
PubChem CID121446661
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC NameN,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1cc(F)cc(F)c1F)C(=O)C1(C)CC1
InChIInChI=1S/C13H14F3NO/c1-13(3-4-13)12(18)17(2)7-8-5-9(14)6-10(15)11(8)16/h5-6H,3-4,7H2,1-2H3
InChIKeyRZDXPHREJSKVBA-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide (CID 121446661) is N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide is CN(Cc1cc(F)cc(F)c1F)C(=O)C1(C)CC1.
What is the InChIKey of N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is RZDXPHREJSKVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-13(3-4-13)12(18)17(2)7-8-5-9(14)6-10(15)11(8)16/h5-6H,3-4,7H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide?
N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 121446661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).