ethane;N-(2-fluoro-3-methylphenyl)acetamide

C11H16FNO — CID 145070564

IUPACethane;N-(2-fluoro-3-methylphenyl)acetamide
SMILESCC.CC(=O)Nc1cccc(C)c1F
InChIInChI=1S/C9H10FNO.C2H6/c1-6-4-3-5-8(9(6)10)11-7(2)12;1-2/h3-5H,1-2H3,(H,11,12);1-2H3
InChIKeySYRRVJXOSCCXSF-UHFFFAOYSA-N
MW197.25 g/mol
LogP3.12
Rot. Bonds1

About ethane;N-(2-fluoro-3-methylphenyl)acetamide

ethane;N-(2-fluoro-3-methylphenyl)acetamide (PubChem CID 145070564) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is ethane;N-(2-fluoro-3-methylphenyl)acetamide.

Molecular Properties

Compound Nameethane;N-(2-fluoro-3-methylphenyl)acetamide
PubChem CID145070564
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Nameethane;N-(2-fluoro-3-methylphenyl)acetamide
SMILESCC.CC(=O)Nc1cccc(C)c1F
InChIInChI=1S/C9H10FNO.C2H6/c1-6-4-3-5-8(9(6)10)11-7(2)12;1-2/h3-5H,1-2H3,(H,11,12);1-2H3
InChIKeySYRRVJXOSCCXSF-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
2-acetamido-6-methylbenzoic acid
CID 2801400
(2-fluoro-3-methylphenyl)hydrazine
CID 55280946
N-[2-(hydroxymethyl)-3-methylphenyl]acetamide
CID 14368464
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
N-(2-fluoro-3-methylphenyl)-3-hydroxybenzamide
CID 113368406
1-(2-fluoro-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 114254796
N-[2-(2-amino-6-methylphenyl)-3-methylphenyl]acetamide
CID 135260414
2-fluoro-N,3-dimethylaniline
CID 50998713
N-(2-fluoro-3-methylphenyl)morpholine-4-carboxamide
CID 166178432
1-(2-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 97161924

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-fluoro-3-methylphenyl)acetamide?
The IUPAC name of ethane;N-(2-fluoro-3-methylphenyl)acetamide (CID 145070564) is ethane;N-(2-fluoro-3-methylphenyl)acetamide.
What is the SMILES notation for ethane;N-(2-fluoro-3-methylphenyl)acetamide?
The canonical SMILES for ethane;N-(2-fluoro-3-methylphenyl)acetamide is CC.CC(=O)Nc1cccc(C)c1F.
What is the InChIKey of ethane;N-(2-fluoro-3-methylphenyl)acetamide?
The InChIKey is SYRRVJXOSCCXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO.C2H6/c1-6-4-3-5-8(9(6)10)11-7(2)12;1-2/h3-5H,1-2H3,(H,11,12);1-2H3.
What are the key properties of ethane;N-(2-fluoro-3-methylphenyl)acetamide?
ethane;N-(2-fluoro-3-methylphenyl)acetamide has a molecular weight of 197.25 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-fluoro-3-methylphenyl)acetamide is sourced from PubChem (CID 145070564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).