4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide

C12H13BrF3NO2 — CID 78987855

IUPAC4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C12H13BrF3NO2/c1-17(6-5-12(14,15)16)11(18)9-4-3-8(13)7-10(9)19-2/h3-4,7H,5-6H2,1-2H3
InChIKeyTUDUNQIMLXDESJ-UHFFFAOYSA-N
MW340.14 g/mol
LogP3.48
Rot. Bonds4

About 4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide

4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 78987855) has the molecular formula C12H13BrF3NO2 and a molecular weight of 340.14 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID78987855
Molecular FormulaC12H13BrF3NO2
Molecular Weight340.14 g/mol
Exact Mass339.01
IUPAC Name4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C12H13BrF3NO2/c1-17(6-5-12(14,15)16)11(18)9-4-3-8(13)7-10(9)19-2/h3-4,7H,5-6H2,1-2H3
InChIKeyTUDUNQIMLXDESJ-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-chloroethyl)-2-methoxy-N-methylbenzamide
CID 115370131
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
4-bromo-2-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 78987861
4-[(4-bromo-2-methoxybenzoyl)-methylamino]butanoic acid
CID 81360925
4-bromo-N-(2-ethoxyethyl)-2-methoxy-N-methylbenzamide
CID 113296075
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 78988590
2-[(4-bromo-2-methoxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115368686
N-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxy-N-methylbenzamide
CID 112793987
4-bromo-N-[(3-chlorocyclobutyl)methyl]-2-methoxy-N-methylbenzamide
CID 113296210
4-bromo-2-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 115369278
4-bromo-2-methoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81339730
4-bromo-2-methoxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 78987573

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide (CID 78987855) is 4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide is COc1cc(Br)ccc1C(=O)N(C)CCC(F)(F)F.
What is the InChIKey of 4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is TUDUNQIMLXDESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO2/c1-17(6-5-12(14,15)16)11(18)9-4-3-8(13)7-10(9)19-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 340.14 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-methyl-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 78987855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).