N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide

C11H13BrN2O2 — CID 104851935

IUPACN-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCCC(N)=O)c1
InChIInChI=1S/C11H13BrN2O2/c1-7-4-8(6-9(12)5-7)11(16)14-3-2-10(13)15/h4-6H,2-3H2,1H3,(H2,13,15)(H,14,16)
InChIKeyNJJGJGYTRSRYAL-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.36
Rot. Bonds4

About N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide

N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide (PubChem CID 104851935) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide
PubChem CID104851935
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCCC(N)=O)c1
InChIInChI=1S/C11H13BrN2O2/c1-7-4-8(6-9(12)5-7)11(16)14-3-2-10(13)15/h4-6H,2-3H2,1H3,(H2,13,15)(H,14,16)
InChIKeyNJJGJGYTRSRYAL-UHFFFAOYSA-N
XLogP1.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 99606290
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3-bromo-N-(3-hydroxybutyl)-5-methylbenzamide
CID 104852776
3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
3-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 104852958
N-(3-amino-3-sulfanylidenepropyl)-3,5-dimethylbenzamide
CID 62667254
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 104852583
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
3-bromo-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzamide
CID 115999730
3-bromo-N-(3-ethoxypropyl)-5-methylbenzamide
CID 104851824
3-bromo-N-[3-(diethylamino)propyl]-5-methylbenzamide
CID 104851807

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide (CID 104851935) is N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide is Cc1cc(Br)cc(C(=O)NCCC(N)=O)c1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide?
The InChIKey is NJJGJGYTRSRYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-7-4-8(6-9(12)5-7)11(16)14-3-2-10(13)15/h4-6H,2-3H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide?
N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide has a molecular weight of 285.14 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-3-bromo-5-methylbenzamide is sourced from PubChem (CID 104851935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).