N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide

C20H20F2N2O2 — CID 24856172

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C20H20F2N2O2/c1-2-24(13-17(25)23-18-15(21)9-6-10-16(18)22)19(26)20(11-12-20)14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3,(H,23,25)
InChIKeyHVUIHNZTBWTHMD-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.48
Rot. Bonds6

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 24856172) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide
PubChem CID24856172
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C20H20F2N2O2/c1-2-24(13-17(25)23-18-15(21)9-6-10-16(18)22)19(26)20(11-12-20)14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3,(H,23,25)
InChIKeyHVUIHNZTBWTHMD-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide (CID 24856172) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is HVUIHNZTBWTHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-2-24(13-17(25)23-18-15(21)9-6-10-16(18)22)19(26)20(11-12-20)14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3,(H,23,25).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 24856172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).