N-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide

C20H19F2NO2 — CID 78321815

IUPACN-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide
SMILESCC(C)(NC(=O)c1c(F)cccc1F)C(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C20H19F2NO2/c1-20(2,23-19(25)17-15(21)4-3-5-16(17)22)18(24)14-10-8-13(9-11-14)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H,23,25)
InChIKeyCXKVGCIATMVZLA-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.23
Rot. Bonds5

About N-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide

N-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide (PubChem CID 78321815) has the molecular formula C20H19F2NO2 and a molecular weight of 343.37 g/mol. Its IUPAC name is N-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide
PubChem CID78321815
Molecular FormulaC20H19F2NO2
Molecular Weight343.37 g/mol
Exact Mass343.14
IUPAC NameN-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide
SMILESCC(C)(NC(=O)c1c(F)cccc1F)C(=O)c1ccc(C2CC2)cc1
InChIInChI=1S/C20H19F2NO2/c1-20(2,23-19(25)17-15(21)4-3-5-16(17)22)18(24)14-10-8-13(9-11-14)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H,23,25)
InChIKeyCXKVGCIATMVZLA-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide (CID 78321815) is N-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide is CC(C)(NC(=O)c1c(F)cccc1F)C(=O)c1ccc(C2CC2)cc1.
What is the InChIKey of N-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide?
The InChIKey is CXKVGCIATMVZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO2/c1-20(2,23-19(25)17-15(21)4-3-5-16(17)22)18(24)14-10-8-13(9-11-14)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide?
N-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide has a molecular weight of 343.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopropylphenyl)-2-methyl-1-oxopropan-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 78321815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).