ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene

C19H26FNO — CID 142892736

IUPACethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
SMILESCC.CCNC(=O)c1cccc(C)c1.Cc1cccc(F)c1
InChIInChI=1S/C10H13NO.C7H7F.C2H6/c1-3-11-10(12)9-6-4-5-8(2)7-9;1-6-3-2-4-7(8)5-6;1-2/h4-7H,3H2,1-2H3,(H,11,12);2-5H,1H3;1-2H3
InChIKeyUNJWPAWVKDBHAF-UHFFFAOYSA-N
MW303.42 g/mol
LogP4.91
Rot. Bonds2

About ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene

ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene (PubChem CID 142892736) has the molecular formula C19H26FNO and a molecular weight of 303.42 g/mol. Its IUPAC name is ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene.

Molecular Properties

Compound Nameethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
PubChem CID142892736
Molecular FormulaC19H26FNO
Molecular Weight303.42 g/mol
Exact Mass303.20
IUPAC Nameethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
SMILESCC.CCNC(=O)c1cccc(C)c1.Cc1cccc(F)c1
InChIInChI=1S/C10H13NO.C7H7F.C2H6/c1-3-11-10(12)9-6-4-5-8(2)7-9;1-6-3-2-4-7(8)5-6;1-2/h4-7H,3H2,1-2H3,(H,11,12);2-5H,1H3;1-2H3
InChIKeyUNJWPAWVKDBHAF-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
2,4-difluoro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573742
N-(ethylcarbamothioyl)-3-methylbenzamide
CID 4947765
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
N-(cyanomethyl)-3-methylbenzamide;ethane
CID 145337674
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide
CID 108538687
N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide
CID 110917968
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9165041
N-ethyl-3-hydroxybenzamide
CID 13175248
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
[3-(ethylcarbamoyl)phenyl]boronic acid
CID 3607123
N-[4-[[2-[4-(ethylcarbamoyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54839088

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene?
The IUPAC name of ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene (CID 142892736) is ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene.
What is the SMILES notation for ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene?
The canonical SMILES for ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene is CC.CCNC(=O)c1cccc(C)c1.Cc1cccc(F)c1.
What is the InChIKey of ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene?
The InChIKey is UNJWPAWVKDBHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C7H7F.C2H6/c1-3-11-10(12)9-6-4-5-8(2)7-9;1-6-3-2-4-7(8)5-6;1-2/h4-7H,3H2,1-2H3,(H,11,12);2-5H,1H3;1-2H3.
What are the key properties of ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene?
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene has a molecular weight of 303.42 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene is sourced from PubChem (CID 142892736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).