3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide

C14H18BrFN2O2 — CID 103706525

IUPAC3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H18BrFN2O2/c1-14(2,3)17-12(19)8-18(4)13(20)9-5-6-11(16)10(15)7-9/h5-7H,8H2,1-4H3,(H,17,19)
InChIKeyKOWBYXZIUIWUBM-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.57
Rot. Bonds3

About 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide

3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide (PubChem CID 103706525) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
PubChem CID103706525
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H18BrFN2O2/c1-14(2,3)17-12(19)8-18(4)13(20)9-5-6-11(16)10(15)7-9/h5-7H,8H2,1-4H3,(H,17,19)
InChIKeyKOWBYXZIUIWUBM-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(3-bromo-4-fluorobenzoyl)-methylamino]acetate
CID 103706657
N-[2-(tert-butylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63188877
N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide
CID 107951195
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 60936833
N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 18118086
2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide
CID 103882161
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094
3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103707583
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride
CID 119691970
3-bromo-4-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 103706992
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylthiophene-3-carboxamide
CID 18170202

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide (CID 103706525) is 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide is CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide?
The InChIKey is KOWBYXZIUIWUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-14(2,3)17-12(19)8-18(4)13(20)9-5-6-11(16)10(15)7-9/h5-7H,8H2,1-4H3,(H,17,19).
What are the key properties of 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide?
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide has a molecular weight of 345.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 103706525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).