ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide

C18H22F2N2O2 — CID 145062937

IUPACethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide
SMILESCC.CNC(=O)c1cccc(F)c1.CNC(=O)c1ccccc1F
InChIInChI=1S/2C8H8FNO.C2H6/c1-10-8(11)6-3-2-4-7(9)5-6;1-10-8(11)6-4-2-3-5-7(6)9;1-2/h2*2-5H,1H3,(H,10,11);1-2H3
InChIKeyJNTRTHMYLGYKBB-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.40
Rot. Bonds2

About ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide

ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide (PubChem CID 145062937) has the molecular formula C18H22F2N2O2 and a molecular weight of 336.38 g/mol. Its IUPAC name is ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Nameethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide
PubChem CID145062937
Molecular FormulaC18H22F2N2O2
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Nameethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide
SMILESCC.CNC(=O)c1cccc(F)c1.CNC(=O)c1ccccc1F
InChIInChI=1S/2C8H8FNO.C2H6/c1-10-8(11)6-3-2-4-7(9)5-6;1-10-8(11)6-4-2-3-5-7(6)9;1-2/h2*2-5H,1H3,(H,10,11);1-2H3
InChIKeyJNTRTHMYLGYKBB-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-fluoro-N-methylbenzamide
CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 7164117
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
3-fluoro-N-hydroxybenzamide
CID 5082377
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
3-fluoro-N-methyl-2-sulfanylbenzamide
CID 175999607
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227063
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide?
The IUPAC name of ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide (CID 145062937) is ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide.
What is the SMILES notation for ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide?
The canonical SMILES for ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide is CC.CNC(=O)c1cccc(F)c1.CNC(=O)c1ccccc1F.
What is the InChIKey of ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide?
The InChIKey is JNTRTHMYLGYKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8FNO.C2H6/c1-10-8(11)6-3-2-4-7(9)5-6;1-10-8(11)6-4-2-3-5-7(6)9;1-2/h2*2-5H,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide?
ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide has a molecular weight of 336.38 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide is sourced from PubChem (CID 145062937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).