3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

C13H14BrF4NO — CID 103707119

IUPAC3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H14BrF4NO/c1-8(2)6-19(7-13(16,17)18)12(20)9-3-4-11(15)10(14)5-9/h3-5,8H,6-7H2,1-2H3
InChIKeySADPHESPRMDQSM-UHFFFAOYSA-N
MW356.16 g/mol
LogP4.25
Rot. Bonds4

About 3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 103707119) has the molecular formula C13H14BrF4NO and a molecular weight of 356.16 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID103707119
Molecular FormulaC13H14BrF4NO
Molecular Weight356.16 g/mol
Exact Mass355.02
IUPAC Name3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H14BrF4NO/c1-8(2)6-19(7-13(16,17)18)12(20)9-3-4-11(15)10(14)5-9/h3-5,8H,6-7H2,1-2H3
InChIKeySADPHESPRMDQSM-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.16
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-3-bromo-4-fluoro-N-(2-methylpropyl)benzamide
CID 107951193
3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54938230
3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61109632
4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 86938126
3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide
CID 107999335
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-N-ethyl-4-fluorobenzamide
CID 107951184
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide
CID 103707264
3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide
CID 107956806
3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103707583
4-amino-3-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 62680023
1-(3-bromo-4-fluorophenyl)-5-methylhexan-1-one
CID 83161748

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 103707119) is 3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is CC(C)CN(CC(F)(F)F)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is SADPHESPRMDQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF4NO/c1-8(2)6-19(7-13(16,17)18)12(20)9-3-4-11(15)10(14)5-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 356.16 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 103707119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).