N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide

C20H22F2N2O2 — CID 134057320

IUPACN-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H22F2N2O2/c1-12(13-8-9-16(21)17(22)11-13)23-18(25)14-6-5-7-15(10-14)24-19(26)20(2,3)4/h5-12H,1-4H3,(H,23,25)(H,24,26)
InChIKeyAYTUJQFIHCCWIS-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.44
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide

N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 134057320) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
PubChem CID134057320
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H22F2N2O2/c1-12(13-8-9-16(21)17(22)11-13)23-18(25)14-6-5-7-15(10-14)24-19(26)20(2,3)4/h5-12H,1-4H3,(H,23,25)(H,24,26)
InChIKeyAYTUJQFIHCCWIS-UHFFFAOYSA-N
XLogP4.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide (CID 134057320) is N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide is CC(NC(=O)c1cccc(NC(=O)C(C)(C)C)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is AYTUJQFIHCCWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-12(13-8-9-16(21)17(22)11-13)23-18(25)14-6-5-7-15(10-14)24-19(26)20(2,3)4/h5-12H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide?
N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 360.40 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 134057320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).