2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide

C18H18F2N2O3 — CID 42029832

IUPAC2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C18H18F2N2O3/c1-2-12-7-3-5-9-14(12)22-16(23)11-21-17(24)13-8-4-6-10-15(13)25-18(19)20/h3-10,18H,2,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyIYTOXLRHCVDOQN-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.22
Rot. Bonds7

About 2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide

2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide (PubChem CID 42029832) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
PubChem CID42029832
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C18H18F2N2O3/c1-2-12-7-3-5-9-14(12)22-16(23)11-21-17(24)13-8-4-6-10-15(13)25-18(19)20/h3-10,18H,2,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyIYTOXLRHCVDOQN-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 8581015
N-[2-(2-ethylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 27762194
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
[2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
CID 7771051
2-(difluoromethoxy)-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 78583452
2-(difluoromethoxy)-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 7964326
2-(difluoromethoxy)-N-propylbenzamide
CID 60654909
2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 31306240
2-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 5020852
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
2-[2-(difluoromethoxy)phenyl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439694
N-[2-(2-ethylanilino)-2-oxoethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 43046467

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide (CID 42029832) is 2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide is CCc1ccccc1NC(=O)CNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide?
The InChIKey is IYTOXLRHCVDOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-2-12-7-3-5-9-14(12)22-16(23)11-21-17(24)13-8-4-6-10-15(13)25-18(19)20/h3-10,18H,2,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide?
2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 3.22, 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-(2-ethylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 42029832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).