N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide

C12H17BrN2O2 — CID 119996618

IUPACN-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(C)CN)c1
InChIInChI=1S/C12H17BrN2O2/c1-8(6-14)7-15-12(16)10-5-9(17-2)3-4-11(10)13/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyFVOSFNRIWAMPKY-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.78
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide

N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide (PubChem CID 119996618) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
PubChem CID119996618
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(C)CN)c1
InChIInChI=1S/C12H17BrN2O2/c1-8(6-14)7-15-12(16)10-5-9(17-2)3-4-11(10)13/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyFVOSFNRIWAMPKY-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
2-bromo-5-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 115764428
N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 119997831
2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55885642
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide
CID 125144555
2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46447047
2-bromo-N-(4-bromo-2-ethylbutyl)-5-methoxybenzamide
CID 113276353
2-bromo-N-(2-chloro-4,4-dimethylpentyl)-5-methoxybenzamide
CID 107157131
2-amino-5-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63983695
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide (CID 119996618) is N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCC(C)CN)c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide?
The InChIKey is FVOSFNRIWAMPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8(6-14)7-15-12(16)10-5-9(17-2)3-4-11(10)13/h3-5,8H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide?
N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide has a molecular weight of 301.18 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide is sourced from PubChem (CID 119996618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).