4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide

C15H17BrF3NO — CID 103925064

IUPAC4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide
SMILESCCCC1(CNC(=O)c2ccc(Br)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H17BrF3NO/c1-2-5-14(6-7-14)9-20-13(21)11-4-3-10(16)8-12(11)15(17,18)19/h3-4,8H,2,5-7,9H2,1H3,(H,20,21)
InChIKeyFPXCWCJEOLRSMZ-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.78
Rot. Bonds5

About 4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide

4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 103925064) has the molecular formula C15H17BrF3NO and a molecular weight of 364.21 g/mol. Its IUPAC name is 4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID103925064
Molecular FormulaC15H17BrF3NO
Molecular Weight364.21 g/mol
Exact Mass363.04
IUPAC Name4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide
SMILESCCCC1(CNC(=O)c2ccc(Br)cc2C(F)(F)F)CC1
InChIInChI=1S/C15H17BrF3NO/c1-2-5-14(6-7-14)9-20-13(21)11-4-3-10(16)8-12(11)15(17,18)19/h3-4,8H,2,5-7,9H2,1H3,(H,20,21)
InChIKeyFPXCWCJEOLRSMZ-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 104957576
4-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 103925334
4-bromo-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925298
4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 107333120
2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
CID 107941471
4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
4-bromo-N-(2-methylsulfanylethyl)-2-(trifluoromethyl)benzamide
CID 113352612
4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide
CID 103925011
N-[1-(aminomethyl)cyclopentyl]-4-bromo-2-(trifluoromethyl)benzamide
CID 107333140
4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
CID 105343037
2-amino-4-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 102978738
N-(3-aminobutyl)-4-bromo-2-(trifluoromethyl)benzamide
CID 107333127

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide (CID 103925064) is 4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide is CCCC1(CNC(=O)c2ccc(Br)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is FPXCWCJEOLRSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrF3NO/c1-2-5-14(6-7-14)9-20-13(21)11-4-3-10(16)8-12(11)15(17,18)19/h3-4,8H,2,5-7,9H2,1H3,(H,20,21).
What are the key properties of 4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide?
4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 364.21 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 103925064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).