N-[2-(2,5-difluorophenyl)ethyl]propanamide

C11H13F2NO — CID 71113752

IUPACN-[2-(2,5-difluorophenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO/c1-2-11(15)14-6-5-8-7-9(12)3-4-10(8)13/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyOGAWNJJKBHSTMS-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.03
Rot. Bonds4

About N-[2-(2,5-difluorophenyl)ethyl]propanamide

N-[2-(2,5-difluorophenyl)ethyl]propanamide (PubChem CID 71113752) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)ethyl]propanamide
PubChem CID71113752
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-[2-(2,5-difluorophenyl)ethyl]propanamide
SMILESCCC(=O)NCCc1cc(F)ccc1F
InChIInChI=1S/C11H13F2NO/c1-2-11(15)14-6-5-8-7-9(12)3-4-10(8)13/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeyOGAWNJJKBHSTMS-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
2-amino-N-[2-(2,5-difluorophenyl)ethyl]acetamide
CID 82492756
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(2,5-difluorophenyl)ethylurea
CID 115168493
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
1-[2-(2,5-difluorophenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111573173
3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 110902844
N-[2-(2,5-difluorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110788173
1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 71981439
N-[2-(2,5-difluorophenyl)ethyl]benzamide
CID 110788162
1-amino-N-[2-(2,5-difluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189941

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]propanamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)ethyl]propanamide (CID 71113752) is N-[2-(2,5-difluorophenyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)ethyl]propanamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)ethyl]propanamide is CCC(=O)NCCc1cc(F)ccc1F.
What is the InChIKey of N-[2-(2,5-difluorophenyl)ethyl]propanamide?
The InChIKey is OGAWNJJKBHSTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-2-11(15)14-6-5-8-7-9(12)3-4-10(8)13/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of N-[2-(2,5-difluorophenyl)ethyl]propanamide?
N-[2-(2,5-difluorophenyl)ethyl]propanamide has a molecular weight of 213.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)ethyl]propanamide is sourced from PubChem (CID 71113752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).