N-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide

C10H17F2N3O2 — CID 71933420

IUPACN-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide
SMILESCN(CC(F)F)C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C10H17F2N3O2/c1-15(6-8(11)12)10(17)14-5-4-13-9(16)7-2-3-7/h7-8H,2-6H2,1H3,(H,13,16)(H,14,17)
InChIKeyGQMMRUWRDWNOME-UHFFFAOYSA-N
MW249.26 g/mol
LogP0.42
Rot. Bonds6

About N-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 71933420) has the molecular formula C10H17F2N3O2 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID71933420
Molecular FormulaC10H17F2N3O2
Molecular Weight249.26 g/mol
Exact Mass249.13
IUPAC NameN-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide
SMILESCN(CC(F)F)C(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C10H17F2N3O2/c1-15(6-8(11)12)10(17)14-5-4-13-9(16)7-2-3-7/h7-8H,2-6H2,1H3,(H,13,16)(H,14,17)
InChIKeyGQMMRUWRDWNOME-UHFFFAOYSA-N
XLogP0.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide (CID 71933420) is N-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide is CN(CC(F)F)C(=O)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is GQMMRUWRDWNOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O2/c1-15(6-8(11)12)10(17)14-5-4-13-9(16)7-2-3-7/h7-8H,2-6H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 249.26 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2,2-difluoroethyl(methyl)carbamoyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 71933420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).