2-fluoro-N-methylbenzamide;hydrate

C8H10FNO2 — CID 141303255

IUPAC2-fluoro-N-methylbenzamide;hydrate
SMILESCNC(=O)c1ccccc1F.O
InChIInChI=1S/C8H8FNO.H2O/c1-10-8(11)6-4-2-3-5-7(6)9;/h2-5H,1H3,(H,10,11);1H2
InChIKeyUBDHFAKSWOGMCK-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.36
Rot. Bonds1

About 2-fluoro-N-methylbenzamide;hydrate

2-fluoro-N-methylbenzamide;hydrate (PubChem CID 141303255) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 2-fluoro-N-methylbenzamide;hydrate.

Molecular Properties

Compound Name2-fluoro-N-methylbenzamide;hydrate
PubChem CID141303255
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name2-fluoro-N-methylbenzamide;hydrate
SMILESCNC(=O)c1ccccc1F.O
InChIInChI=1S/C8H8FNO.H2O/c1-10-8(11)6-4-2-3-5-7(6)9;/h2-5H,1H3,(H,10,11);1H2
InChIKeyUBDHFAKSWOGMCK-UHFFFAOYSA-N
XLogP0.36
TPSA60.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-fluoro-N-(4-methylpentyl)benzamide
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N,2-dimethylbenzamide;trifluoroborane
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methylbenzamide;hydrate?
The IUPAC name of 2-fluoro-N-methylbenzamide;hydrate (CID 141303255) is 2-fluoro-N-methylbenzamide;hydrate.
What is the SMILES notation for 2-fluoro-N-methylbenzamide;hydrate?
The canonical SMILES for 2-fluoro-N-methylbenzamide;hydrate is CNC(=O)c1ccccc1F.O.
What is the InChIKey of 2-fluoro-N-methylbenzamide;hydrate?
The InChIKey is UBDHFAKSWOGMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO.H2O/c1-10-8(11)6-4-2-3-5-7(6)9;/h2-5H,1H3,(H,10,11);1H2.
What are the key properties of 2-fluoro-N-methylbenzamide;hydrate?
2-fluoro-N-methylbenzamide;hydrate has a molecular weight of 171.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methylbenzamide;hydrate is sourced from PubChem (CID 141303255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).