N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide

C13H13F4NO2 — CID 97062740

IUPACN-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide
SMILESCOC[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)C1CC1
InChIInChI=1S/C13H13F4NO2/c1-20-5-9(6-2-3-6)18-13(19)10-11(16)7(14)4-8(15)12(10)17/h4,6,9H,2-3,5H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyYIDBRSMZXVIQIC-SECBINFHSA-N
MW291.24 g/mol
LogP2.40
Rot. Bonds5

About N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide

N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide (PubChem CID 97062740) has the molecular formula C13H13F4NO2 and a molecular weight of 291.24 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide
PubChem CID97062740
Molecular FormulaC13H13F4NO2
Molecular Weight291.24 g/mol
Exact Mass291.09
IUPAC NameN-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide
SMILESCOC[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)C1CC1
InChIInChI=1S/C13H13F4NO2/c1-20-5-9(6-2-3-6)18-13(19)10-11(16)7(14)4-8(15)12(10)17/h4,6,9H,2-3,5H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyYIDBRSMZXVIQIC-SECBINFHSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide?
The IUPAC name of N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide (CID 97062740) is N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide.
What is the SMILES notation for N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide?
The canonical SMILES for N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide is COC[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide?
The InChIKey is YIDBRSMZXVIQIC-SECBINFHSA-N. The full InChI is InChI=1S/C13H13F4NO2/c1-20-5-9(6-2-3-6)18-13(19)10-11(16)7(14)4-8(15)12(10)17/h4,6,9H,2-3,5H2,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide?
N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide has a molecular weight of 291.24 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropyl-2-methoxyethyl]-2,3,5,6-tetrafluorobenzamide is sourced from PubChem (CID 97062740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).