2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide

C18H18F2N2O3 — CID 78583452

IUPAC2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
SMILESCC(NC(=O)CNC(=O)c1ccccc1OC(F)F)c1ccccc1
InChIInChI=1S/C18H18F2N2O3/c1-12(13-7-3-2-4-8-13)22-16(23)11-21-17(24)14-9-5-6-10-15(14)25-18(19)20/h2-10,12,18H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyZTGPRSPEVCBQPC-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.90
Rot. Bonds7

About 2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide

2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide (PubChem CID 78583452) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
PubChem CID78583452
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
SMILESCC(NC(=O)CNC(=O)c1ccccc1OC(F)F)c1ccccc1
InChIInChI=1S/C18H18F2N2O3/c1-12(13-7-3-2-4-8-13)22-16(23)11-21-17(24)14-9-5-6-10-15(14)25-18(19)20/h2-10,12,18H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyZTGPRSPEVCBQPC-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 7964326
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
2-ethoxy-N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 46654191
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
2-(difluoromethoxy)-N-(3,3-diphenylpropyl)benzamide
CID 18225114
2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 42029832
N-[(1R)-1-phenylethyl]-2-propan-2-yloxybenzamide
CID 92666015
3-[[2-[[2-(difluoromethoxy)benzoyl]amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 122111558
2,3-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 122195641
2-[[[2-(difluoromethoxy)benzoyl]amino]methyl]-3-methylbutanoic acid
CID 65220322
N-benzyl-2-(difluoromethoxy)benzamide
CID 40548463

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide (CID 78583452) is 2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide is CC(NC(=O)CNC(=O)c1ccccc1OC(F)F)c1ccccc1.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide?
The InChIKey is ZTGPRSPEVCBQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-12(13-7-3-2-4-8-13)22-16(23)11-21-17(24)14-9-5-6-10-15(14)25-18(19)20/h2-10,12,18H,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide?
2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide is sourced from PubChem (CID 78583452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).