N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide

C13H15F2NO — CID 61027207

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)C1CC1
InChIInChI=1S/C13H15F2NO/c1-8(16-13(17)9-5-6-9)7-10-11(14)3-2-4-12(10)15/h2-4,8-9H,5-7H2,1H3,(H,16,17)
InChIKeyUBNYSDLUHAWHLP-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.42
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide

N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide (PubChem CID 61027207) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
PubChem CID61027207
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)C1CC1
InChIInChI=1S/C13H15F2NO/c1-8(16-13(17)9-5-6-9)7-10-11(14)3-2-4-12(10)15/h2-4,8-9H,5-7H2,1H3,(H,16,17)
InChIKeyUBNYSDLUHAWHLP-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 60541693
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
CID 60932780
2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
CID 114328026
2-(azetidin-3-yl)-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide
CID 64618985
(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012346
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 81486715
2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methoxypropanamide
CID 81083554
1-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 154814615
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-[1-(2,6-difluorophenyl)propan-2-yl]acetamide
CID 111858744
N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide
CID 62837413

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide (CID 61027207) is N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide is CC(Cc1c(F)cccc1F)NC(=O)C1CC1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide?
The InChIKey is UBNYSDLUHAWHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-8(16-13(17)9-5-6-9)7-10-11(14)3-2-4-12(10)15/h2-4,8-9H,5-7H2,1H3,(H,16,17).
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide?
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide has a molecular weight of 239.26 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 61027207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).