3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide

C11H10F3NO — CID 115634311

IUPAC3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide
SMILESCC1(NC(=O)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C11H10F3NO/c1-11(2-3-11)15-10(16)6-4-7(12)9(14)8(13)5-6/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyWONQXXPOYYJMTF-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.39
Rot. Bonds2

About 3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide

3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide (PubChem CID 115634311) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide
PubChem CID115634311
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide
SMILESCC1(NC(=O)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C11H10F3NO/c1-11(2-3-11)15-10(16)6-4-7(12)9(14)8(13)5-6/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyWONQXXPOYYJMTF-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-4-(methylamino)-N-(1-methylcyclopentyl)benzamide
CID 64688484
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
N-[(2,2-dimethylcyclopropyl)methyl]-3,4,5-trifluorobenzamide
CID 113234698
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 63186841
N-(1,4-dimethylpiperidin-4-yl)-3,4-difluorobenzamide
CID 134435231
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 63186883
3,5-dihydroxy-N-(1-methylcyclobutyl)benzamide
CID 104939206
3,4,5-trifluoro-N-(2-oxopropyl)benzamide
CID 64997335
2,2-dimethyl-3-[(3,4,5-trifluorobenzoyl)amino]propanoic acid
CID 81369137
3,4-difluoro-5-[(1-methylcyclopentyl)carbamoyl]benzenesulfonyl chloride
CID 65398826
2-methyl-5-[(3,4,5-trifluorobenzoyl)amino]pentanoic acid
CID 104682373

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide (CID 115634311) is 3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide is CC1(NC(=O)c2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of 3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide?
The InChIKey is WONQXXPOYYJMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-11(2-3-11)15-10(16)6-4-7(12)9(14)8(13)5-6/h4-5H,2-3H2,1H3,(H,15,16).
What are the key properties of 3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide?
3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide has a molecular weight of 229.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(1-methylcyclopropyl)benzamide is sourced from PubChem (CID 115634311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).