2,6-difluoro-N-prop-1-en-2-ylbenzamide

C10H9F2NO — CID 69282830

IUPAC2,6-difluoro-N-prop-1-en-2-ylbenzamide
SMILESC=C(C)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C10H9F2NO/c1-6(2)13-10(14)9-7(11)4-3-5-8(9)12/h3-5H,1H2,2H3,(H,13,14)
InChIKeyRVQNPGKZIMNFAI-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.23
Rot. Bonds2

About 2,6-difluoro-N-prop-1-en-2-ylbenzamide

2,6-difluoro-N-prop-1-en-2-ylbenzamide (PubChem CID 69282830) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2,6-difluoro-N-prop-1-en-2-ylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-prop-1-en-2-ylbenzamide
PubChem CID69282830
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2,6-difluoro-N-prop-1-en-2-ylbenzamide
SMILESC=C(C)NC(=O)c1c(F)cccc1F
InChIInChI=1S/C10H9F2NO/c1-6(2)13-10(14)9-7(11)4-3-5-8(9)12/h3-5H,1H2,2H3,(H,13,14)
InChIKeyRVQNPGKZIMNFAI-UHFFFAOYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-difluoro-N-prop-1-en-2-ylbenzamide 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 2,6-difluoro-N-prop-1-en-2-ylbenzamide?
The IUPAC name of 2,6-difluoro-N-prop-1-en-2-ylbenzamide (CID 69282830) is 2,6-difluoro-N-prop-1-en-2-ylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-prop-1-en-2-ylbenzamide?
The canonical SMILES for 2,6-difluoro-N-prop-1-en-2-ylbenzamide is C=C(C)NC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-prop-1-en-2-ylbenzamide?
The InChIKey is RVQNPGKZIMNFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-6(2)13-10(14)9-7(11)4-3-5-8(9)12/h3-5H,1H2,2H3,(H,13,14).
What are the key properties of 2,6-difluoro-N-prop-1-en-2-ylbenzamide?
2,6-difluoro-N-prop-1-en-2-ylbenzamide has a molecular weight of 197.18 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-prop-1-en-2-ylbenzamide is sourced from PubChem (CID 69282830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).