N-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide

C13H20FNOSn — CID 21083943

IUPACN-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide
SMILESCC(=O)NC(C)c1cc([Sn](C)(C)C)ccc1F
InChIInChI=1S/C10H11FNO.3CH3.Sn/c1-7(12-8(2)13)9-5-3-4-6-10(9)11;;;;/h4-7H,1-2H3,(H,12,13);3*1H3;
InChIKeyMCWAAYDIIBTCEC-UHFFFAOYSA-N
MW344.02 g/mol
LogP2.57
Rot. Bonds3

About N-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide

N-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide (PubChem CID 21083943) has the molecular formula C13H20FNOSn and a molecular weight of 344.02 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide
PubChem CID21083943
Molecular FormulaC13H20FNOSn
Molecular Weight344.02 g/mol
Exact Mass345.06
IUPAC NameN-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide
SMILESCC(=O)NC(C)c1cc([Sn](C)(C)C)ccc1F
InChIInChI=1S/C10H11FNO.3CH3.Sn/c1-7(12-8(2)13)9-5-3-4-6-10(9)11;;;;/h4-7H,1-2H3,(H,12,13);3*1H3;
InChIKeyMCWAAYDIIBTCEC-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.02
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 157438147
CID 157438147
4-(1-acetamidoethyl)-3-fluorobenzoic acid
CID 22120485
N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpropanamide
CID 114327764
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
tert-butyl N-[1-(2,5-difluorophenyl)ethyl]carbamate
CID 63787990
N-[1-(2,5-difluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195587
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[1-(2,6-difluorophenyl)ethyl]acetamide;N-[1-(2-fluorophenyl)ethyl]-2-methylpropanamide;molecular hydrogen
CID 164599176
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]butanamide
CID 55126066
2-chloro-N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 46591256

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide?
The IUPAC name of N-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide (CID 21083943) is N-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide?
The canonical SMILES for N-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide is CC(=O)NC(C)c1cc([Sn](C)(C)C)ccc1F.
What is the InChIKey of N-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide?
The InChIKey is MCWAAYDIIBTCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FNO.3CH3.Sn/c1-7(12-8(2)13)9-5-3-4-6-10(9)11;;;;/h4-7H,1-2H3,(H,12,13);3*1H3;.
What are the key properties of N-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide?
N-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide has a molecular weight of 344.02 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-trimethylstannylphenyl)ethyl]acetamide is sourced from PubChem (CID 21083943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).