4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide

C13H15BrF3NO — CID 81449756

IUPAC4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide
SMILESCC(C)CN(C)C(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H15BrF3NO/c1-8(2)7-18(3)12(19)9-4-5-11(14)10(6-9)13(15,16)17/h4-6,8H,7H2,1-3H3
InChIKeyNNDYKGRYYODSKA-UHFFFAOYSA-N
MW338.17 g/mol
LogP4.20
Rot. Bonds3

About 4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide

4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide (PubChem CID 81449756) has the molecular formula C13H15BrF3NO and a molecular weight of 338.17 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide
PubChem CID81449756
Molecular FormulaC13H15BrF3NO
Molecular Weight338.17 g/mol
Exact Mass337.03
IUPAC Name4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide
SMILESCC(C)CN(C)C(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C13H15BrF3NO/c1-8(2)7-18(3)12(19)9-4-5-11(14)10(6-9)13(15,16)17/h4-6,8H,7H2,1-3H3
InChIKeyNNDYKGRYYODSKA-UHFFFAOYSA-N
XLogP4.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-(3-hydroxybutyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 115735357
3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440
3,4-dihydroxy-N-methyl-N-(2-methylpropyl)benzamide
CID 103956449
4-bromo-N-methyl-N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzamide
CID 81455475
N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide
CID 62168801
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
1-[4-bromo-3-(trifluoromethyl)phenyl]-2,2-difluoroethanone
CID 130137126
4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842
4-bromo-N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180672
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62161986
N-[2-(dimethylamino)ethyl]-4-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 63693090
N,3-dimethyl-4-(methylamino)-N-(2-methylpropyl)benzamide
CID 63210523

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide (CID 81449756) is 4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide is CC(C)CN(C)C(=O)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide?
The InChIKey is NNDYKGRYYODSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO/c1-8(2)7-18(3)12(19)9-4-5-11(14)10(6-9)13(15,16)17/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide?
4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide has a molecular weight of 338.17 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 81449756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).