N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide

C19H20F2N2O2 — CID 113054471

IUPACN-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)C(C)c1ccccc1
InChIInChI=1S/C19H20F2N2O2/c1-13(15-6-4-3-5-7-15)23(14(2)24)11-10-22-19(25)16-8-9-17(20)18(21)12-16/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)
InChIKeyFPZUXDJIAJYVPX-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.30
Rot. Bonds6

About N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide

N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide (PubChem CID 113054471) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide
PubChem CID113054471
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)C(C)c1ccccc1
InChIInChI=1S/C19H20F2N2O2/c1-13(15-6-4-3-5-7-15)23(14(2)24)11-10-22-19(25)16-8-9-17(20)18(21)12-16/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)
InChIKeyFPZUXDJIAJYVPX-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113052022
N-[2-[acetyl(1-phenylethyl)amino]ethyl]propanamide
CID 113054420
N-[2-[acetyl(propan-2-yl)amino]ethyl]benzamide
CID 113051974
N-[2-[acetyl(propyl)amino]ethyl]-3,4-difluorobenzamide
CID 113051885
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide
CID 113058813
4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide
CID 63525833
N-[2-[acetyl(pentyl)amino]ethyl]-3,4-difluorobenzamide
CID 113056981
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]-3,4-difluorobenzamide
CID 113061115
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113055209

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide (CID 113054471) is N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide is CC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)C(C)c1ccccc1.
What is the InChIKey of N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide?
The InChIKey is FPZUXDJIAJYVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-13(15-6-4-3-5-7-15)23(14(2)24)11-10-22-19(25)16-8-9-17(20)18(21)12-16/h3-9,12-13H,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide?
N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide has a molecular weight of 346.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(1-phenylethyl)amino]ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113054471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).