5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide

C14H19BrN2O3 — CID 75498719

IUPAC5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide
SMILESCNC(=O)c1cc(Br)ccc1NC(=O)COC(C)(C)C
InChIInChI=1S/C14H19BrN2O3/c1-14(2,3)20-8-12(18)17-11-6-5-9(15)7-10(11)13(19)16-4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyBLCDHOJFITXYOW-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.56
Rot. Bonds4

About 5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide

5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide (PubChem CID 75498719) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide.

Molecular Properties

Compound Name5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide
PubChem CID75498719
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide
SMILESCNC(=O)c1cc(Br)ccc1NC(=O)COC(C)(C)C
InChIInChI=1S/C14H19BrN2O3/c1-14(2,3)20-8-12(18)17-11-6-5-9(15)7-10(11)13(19)16-4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyBLCDHOJFITXYOW-UHFFFAOYSA-N
XLogP2.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644
N-[4-bromo-2-(trifluoromethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103193670
N-(4-bromo-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604592
5-bromo-N-methyl-2-(methylamino)benzamide
CID 130751837
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 17354006
N-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604369
N-(2-benzoyl-4-bromophenyl)-2-methoxyacetamide
CID 166884610
N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943345
N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604433
N-(2-chloro-4-iodophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604535
N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604669
N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604610

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide?
The IUPAC name of 5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide (CID 75498719) is 5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide.
What is the SMILES notation for 5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide?
The canonical SMILES for 5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide is CNC(=O)c1cc(Br)ccc1NC(=O)COC(C)(C)C.
What is the InChIKey of 5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide?
The InChIKey is BLCDHOJFITXYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-14(2,3)20-8-12(18)17-11-6-5-9(15)7-10(11)13(19)16-4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide?
5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide has a molecular weight of 343.22 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzamide is sourced from PubChem (CID 75498719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).