ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide

C12H17F2NO — CID 144686533

IUPACethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
SMILESCC.Cc1ccc(C(=O)NCCF)cc1F
InChIInChI=1S/C10H11F2NO.C2H6/c1-7-2-3-8(6-9(7)12)10(14)13-5-4-11;1-2/h2-3,6H,4-5H2,1H3,(H,13,14);1-2H3
InChIKeySXCCSQLHUWTVDN-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.86
Rot. Bonds3

About ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide

ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide (PubChem CID 144686533) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide.

Molecular Properties

Compound Nameethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
PubChem CID144686533
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Nameethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
SMILESCC.Cc1ccc(C(=O)NCCF)cc1F
InChIInChI=1S/C10H11F2NO.C2H6/c1-7-2-3-8(6-9(7)12)10(14)13-5-4-11;1-2/h2-3,6H,4-5H2,1H3,(H,13,14);1-2H3
InChIKeySXCCSQLHUWTVDN-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(6-bromohexyl)-3-fluoro-4-methylbenzamide
CID 107847799
4-bromo-3-fluoro-N-(2-fluoroethyl)benzamide
CID 130478173
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N-[2-(2-bromoethoxy)ethyl]-3-fluoro-4-methylbenzamide
CID 114309408
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
3-fluoro-4-methyl-N-[2-(propan-2-ylcarbamoylamino)ethyl]benzamide
CID 36506645
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643
N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33321847
6-[(3-fluoro-4-methylbenzoyl)amino]hexanoic acid
CID 16787400
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
4-[(3-fluoro-4-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80539086
3-fluoro-4-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 64996528

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide?
The IUPAC name of ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide (CID 144686533) is ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide.
What is the SMILES notation for ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide?
The canonical SMILES for ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide is CC.Cc1ccc(C(=O)NCCF)cc1F.
What is the InChIKey of ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide?
The InChIKey is SXCCSQLHUWTVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO.C2H6/c1-7-2-3-8(6-9(7)12)10(14)13-5-4-11;1-2/h2-3,6H,4-5H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide?
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide has a molecular weight of 229.27 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide is sourced from PubChem (CID 144686533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).