N-(1-cyclopropylethyl)-2,3-difluorobenzamide

C12H13F2NO — CID 62648544

IUPACN-(1-cyclopropylethyl)-2,3-difluorobenzamide
SMILESCC(NC(=O)c1cccc(F)c1F)C1CC1
InChIInChI=1S/C12H13F2NO/c1-7(8-5-6-8)15-12(16)9-3-2-4-10(13)11(9)14/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChIKeyNKGLYGJGIOHGAJ-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.49
Rot. Bonds3

About N-(1-cyclopropylethyl)-2,3-difluorobenzamide

N-(1-cyclopropylethyl)-2,3-difluorobenzamide (PubChem CID 62648544) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,3-difluorobenzamide
PubChem CID62648544
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC NameN-(1-cyclopropylethyl)-2,3-difluorobenzamide
SMILESCC(NC(=O)c1cccc(F)c1F)C1CC1
InChIInChI=1S/C12H13F2NO/c1-7(8-5-6-8)15-12(16)9-3-2-4-10(13)11(9)14/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChIKeyNKGLYGJGIOHGAJ-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 106544366
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2-fluoro-N-(1-piperidin-4-ylethyl)benzamide
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2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
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CID 105380375
2-(1-cyclopropylethylcarbamoyl)benzoic acid
CID 43533392
2,3-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996630
N-(1-chloropropan-2-yl)-2,3-difluorobenzamide
CID 114299570
N-(1-cyclopentylethyl)-3-hydroxy-2-methylbenzamide
CID 82828967
N-(1-cyclopentylethyl)-2,3-difluoropyridine-4-carboxamide
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2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
CID 62660589

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,3-difluorobenzamide?
The IUPAC name of N-(1-cyclopropylethyl)-2,3-difluorobenzamide (CID 62648544) is N-(1-cyclopropylethyl)-2,3-difluorobenzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,3-difluorobenzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2,3-difluorobenzamide is CC(NC(=O)c1cccc(F)c1F)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2,3-difluorobenzamide?
The InChIKey is NKGLYGJGIOHGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-7(8-5-6-8)15-12(16)9-3-2-4-10(13)11(9)14/h2-4,7-8H,5-6H2,1H3,(H,15,16).
What are the key properties of N-(1-cyclopropylethyl)-2,3-difluorobenzamide?
N-(1-cyclopropylethyl)-2,3-difluorobenzamide has a molecular weight of 225.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,3-difluorobenzamide is sourced from PubChem (CID 62648544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).