N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide

C13H13BrF3NO — CID 67194016

IUPACN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)NCc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H13BrF3NO/c14-10-4-3-9(11(6-10)13(15,16)17)7-18-12(19)5-8-1-2-8/h3-4,6,8H,1-2,5,7H2,(H,18,19)
InChIKeyIAOBCCWPWOWIMO-UHFFFAOYSA-N
MW336.15 g/mol
LogP3.88
Rot. Bonds4

About N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide

N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide (PubChem CID 67194016) has the molecular formula C13H13BrF3NO and a molecular weight of 336.15 g/mol. Its IUPAC name is N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide
PubChem CID67194016
Molecular FormulaC13H13BrF3NO
Molecular Weight336.15 g/mol
Exact Mass335.01
IUPAC NameN-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)NCc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H13BrF3NO/c14-10-4-3-9(11(6-10)13(15,16)17)7-18-12(19)5-8-1-2-8/h3-4,6,8H,1-2,5,7H2,(H,18,19)
InChIKeyIAOBCCWPWOWIMO-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-3,3-difluoro-1-methylcyclobutane-1-carboxamide
CID 69471397
Acetamide, N-(p-bromobenzyl)-2-fluoro-
CID 198020
N-[(1R)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800130
N-[1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 2918642
N-[(4-bromophenyl)methyl]-2,2,2-trifluoroacetamide
CID 556297
N-(4-Bromophenethyl)-2,2,2-trifluoroacetamide
CID 1518036
Dodecanamide, N-(p-bromobenzyl)-
CID 59222
8-bromo-2,3,4,5-tetrahydro-1H-2-benzazepin-1-one
CID 83853264
N-[(5-bromo-2-fluorophenyl)methyl]-2-methylpropanamide
CID 45875403
4-bromo-N-[(E)-4,4,4-trifluorobut-2-enyl]benzamide
CID 71534604
N-(3-bromobenzyl)propanamide
CID 17126876
N-[2-(3-bromophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 18414326

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide?
The IUPAC name of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide (CID 67194016) is N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide?
The canonical SMILES for N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide is O=C(CC1CC1)NCc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide?
The InChIKey is IAOBCCWPWOWIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF3NO/c14-10-4-3-9(11(6-10)13(15,16)17)7-18-12(19)5-8-1-2-8/h3-4,6,8H,1-2,5,7H2,(H,18,19).
What are the key properties of N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide?
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide has a molecular weight of 336.15 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2-cyclopropylacetamide is sourced from PubChem (CID 67194016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).