N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide

C12H17BrN2O2 — CID 81482472

IUPACN-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NCC(C)(C)N
InChIInChI=1S/C12H17BrN2O2/c1-12(2,14)7-15-11(16)9-5-4-8(13)6-10(9)17-3/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeySQSJIPUUEJCLNB-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.92
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide

N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide (PubChem CID 81482472) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
PubChem CID81482472
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NCC(C)(C)N
InChIInChI=1S/C12H17BrN2O2/c1-12(2,14)7-15-11(16)9-5-4-8(13)6-10(9)17-3/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeySQSJIPUUEJCLNB-UHFFFAOYSA-N
XLogP1.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4-bromo-2-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoate
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CID 146273207
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide (CID 81482472) is N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NCC(C)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide?
The InChIKey is SQSJIPUUEJCLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-12(2,14)7-15-11(16)9-5-4-8(13)6-10(9)17-3/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide?
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide has a molecular weight of 301.18 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide is sourced from PubChem (CID 81482472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).