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

C21H24F2N2O2 — CID 46523132

IUPACN-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C21H24F2N2O2/c1-13(14-9-10-17(22)18(23)12-14)25(5)19(26)15-7-6-8-16(11-15)24-20(27)21(2,3)4/h6-13H,1-5H3,(H,24,27)
InChIKeyJSNZUESFPSSHBZ-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.78
Rot. Bonds4

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

N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide (PubChem CID 46523132) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide
PubChem CID46523132
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C21H24F2N2O2/c1-13(14-9-10-17(22)18(23)12-14)25(5)19(26)15-7-6-8-16(11-15)24-20(27)21(2,3)4/h6-13H,1-5H3,(H,24,27)
InChIKeyJSNZUESFPSSHBZ-UHFFFAOYSA-N
XLogP4.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057320
3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058978
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
CID 134063370
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 86980736
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46513080
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
tert-butyl N-[3-[1-(3-benzamidophenyl)ethyl-methylcarbamoyl]phenyl]carbamate
CID 46533494
N-[1-(2,6-difluorophenyl)ethyl]-N-methyl-3-(prop-2-enoylamino)benzamide
CID 166412002
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]-N-methylquinoline-6-carboxamide
CID 55731326
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide (CID 46523132) is N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide is CC(c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide?
The InChIKey is JSNZUESFPSSHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-13(14-9-10-17(22)18(23)12-14)25(5)19(26)15-7-6-8-16(11-15)24-20(27)21(2,3)4/h6-13H,1-5H3,(H,24,27).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide?
N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide has a molecular weight of 374.43 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 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)-N-methylbenzamide is sourced from PubChem (CID 46523132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).