4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide

C13H17BrN2O3 — CID 103722401

IUPAC4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H17BrN2O3/c1-8(12(18)15-2)7-16(3)13(19)10-5-4-9(14)6-11(10)17/h4-6,8,17H,7H2,1-3H3,(H,15,18)
InChIKeyUTVWBOUNLQTUKQ-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.61
Rot. Bonds4

About 4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide

4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide (PubChem CID 103722401) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
PubChem CID103722401
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
SMILESCNC(=O)C(C)CN(C)C(=O)c1ccc(Br)cc1O
InChIInChI=1S/C13H17BrN2O3/c1-8(12(18)15-2)7-16(3)13(19)10-5-4-9(14)6-11(10)17/h4-6,8,17H,7H2,1-3H3,(H,15,18)
InChIKeyUTVWBOUNLQTUKQ-UHFFFAOYSA-N
XLogP1.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diamino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913866
5-amino-2-bromo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913822
2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913799
3-amino-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913813
4-amino-3-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 102739507
3-hydroxy-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103957388
3-[(5-bromo-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 103887345
4-bromo-2,6-difluoro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103747220
N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-2-sulfanylbenzamide
CID 107037305
4-bromo-2-hydroxy-N,N-di(propan-2-yl)benzamide
CID 132991594
4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119818676
3-hydroxy-4-iodo-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 104629307

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide (CID 103722401) is 4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide is CNC(=O)C(C)CN(C)C(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
The InChIKey is UTVWBOUNLQTUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-8(12(18)15-2)7-16(3)13(19)10-5-4-9(14)6-11(10)17/h4-6,8,17H,7H2,1-3H3,(H,15,18).
What are the key properties of 4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide?
4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide has a molecular weight of 329.19 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 103722401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).