N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide

C15H23BrN2O3 — CID 119605500

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)(CN)C(C)C)cc(OC)c1Br
InChIInChI=1S/C15H23BrN2O3/c1-9(2)15(3,8-17)18-14(19)10-6-11(20-4)13(16)12(7-10)21-5/h6-7,9H,8,17H2,1-5H3,(H,18,19)
InChIKeyKMDGWKOZWZKLOS-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.57
Rot. Bonds6

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide

N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide (PubChem CID 119605500) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide
PubChem CID119605500
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)(CN)C(C)C)cc(OC)c1Br
InChIInChI=1S/C15H23BrN2O3/c1-9(2)15(3,8-17)18-14(19)10-6-11(20-4)13(16)12(7-10)21-5/h6-7,9H,8,17H2,1-5H3,(H,18,19)
InChIKeyKMDGWKOZWZKLOS-UHFFFAOYSA-N
XLogP2.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119609098
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-methoxybenzamide
CID 115369689
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethoxybenzamide;hydrochloride
CID 119606880
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 119607326
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-5-methylbenzamide
CID 113265798
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119608553
4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 83031498
3-N-(1-amino-2,3-dimethylbutan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 119609065
N-(1-amino-2,3-dimethylbutan-2-yl)-5-hydroxypyridine-3-carboxamide
CID 113283967
N-(1-amino-2,3-dimethylbutan-2-yl)quinoxaline-6-carboxamide
CID 115310480
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 119608396

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide (CID 119605500) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide is COc1cc(C(=O)NC(C)(CN)C(C)C)cc(OC)c1Br.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide?
The InChIKey is KMDGWKOZWZKLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-9(2)15(3,8-17)18-14(19)10-6-11(20-4)13(16)12(7-10)21-5/h6-7,9H,8,17H2,1-5H3,(H,18,19).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide has a molecular weight of 359.26 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-3,5-dimethoxybenzamide is sourced from PubChem (CID 119605500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).