N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide

C19H19FN2O2 — CID 25161697

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C19H19FN2O2/c1-22(13-17(23)21-16-9-5-8-15(20)12-16)18(24)19(10-11-19)14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,21,23)
InChIKeySMWGEUOOBNUFLP-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.95
Rot. Bonds5

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 25161697) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
PubChem CID25161697
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C19H19FN2O2/c1-22(13-17(23)21-16-9-5-8-15(20)12-16)18(24)19(10-11-19)14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,21,23)
InChIKeySMWGEUOOBNUFLP-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide (CID 25161697) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is SMWGEUOOBNUFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-22(13-17(23)21-16-9-5-8-15(20)12-16)18(24)19(10-11-19)14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,21,23).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 25161697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).