3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide

C13H17BrFNO — CID 103707583

IUPAC3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)N(C)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H17BrFNO/c1-5-13(2,3)16(4)12(17)9-6-7-11(15)10(14)8-9/h6-8H,5H2,1-4H3
InChIKeyKRZQEVVXBLQNQK-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.85
Rot. Bonds3

About 3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide

3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide (PubChem CID 103707583) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide
PubChem CID103707583
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)N(C)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H17BrFNO/c1-5-13(2,3)16(4)12(17)9-6-7-11(15)10(14)8-9/h6-8H,5H2,1-4H3
InChIKeyKRZQEVVXBLQNQK-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide
CID 107956806
3-bromo-5-chloro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103827088
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 103706525
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63958933
N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide
CID 103707264
3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
CID 103706641
methyl 2-[(3-bromo-4-fluorobenzoyl)-methylamino]acetate
CID 103706657
3-bromo-N-(3-ethylpentan-3-yl)-4-fluorobenzamide
CID 113244906
3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 103706992
N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide
CID 107951195
N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 63961442

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide (CID 103707583) is 3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)N(C)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is KRZQEVVXBLQNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-5-13(2,3)16(4)12(17)9-6-7-11(15)10(14)8-9/h6-8H,5H2,1-4H3.
What are the key properties of 3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide?
3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 302.19 g/mol, XLogP of 3.85, 3 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-methyl-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 103707583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).