5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide

C12H15FN2O3 — CID 110902888

IUPAC5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)N(C)CCO)c1
InChIInChI=1S/C12H15FN2O3/c1-8(17)14-9-3-4-11(13)10(7-9)12(18)15(2)5-6-16/h3-4,7,16H,5-6H2,1-2H3,(H,14,17)
InChIKeyBXIUPRMQZGMZAX-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.85
Rot. Bonds4

About 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide

5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide (PubChem CID 110902888) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide
PubChem CID110902888
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)N(C)CCO)c1
InChIInChI=1S/C12H15FN2O3/c1-8(17)14-9-3-4-11(13)10(7-9)12(18)15(2)5-6-16/h3-4,7,16H,5-6H2,1-2H3,(H,14,17)
InChIKeyBXIUPRMQZGMZAX-UHFFFAOYSA-N
XLogP0.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 110903029
2-[(5-acetamido-2-fluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 120518774
2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 67489578
3-[(5-acetamido-2-chlorobenzoyl)-methylamino]propanoic acid
CID 119362546
2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 120517221
5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide
CID 117044877
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110908798
5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
2-[(5-acetamido-2-fluorobenzoyl)amino]propanoic acid
CID 119348788
5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride
CID 120506854

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide?
The IUPAC name of 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide (CID 110902888) is 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide.
What is the SMILES notation for 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide?
The canonical SMILES for 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide is CC(=O)Nc1ccc(F)c(C(=O)N(C)CCO)c1.
What is the InChIKey of 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide?
The InChIKey is BXIUPRMQZGMZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-8(17)14-9-3-4-11(13)10(7-9)12(18)15(2)5-6-16/h3-4,7,16H,5-6H2,1-2H3,(H,14,17).
What are the key properties of 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide?
5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide has a molecular weight of 254.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzamide is sourced from PubChem (CID 110902888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).