N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide

C16H23BrN2O — CID 81111796

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC2C(C)(C)C(N)C2(C)C)c1
InChIInChI=1S/C16H23BrN2O/c1-9-6-7-11(17)10(8-9)12(20)19-14-15(2,3)13(18)16(14,4)5/h6-8,13-14H,18H2,1-5H3,(H,19,20)
InChIKeyLPDSZCALDPGWCL-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.25
Rot. Bonds2

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide (PubChem CID 81111796) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide
PubChem CID81111796
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NC2C(C)(C)C(N)C2(C)C)c1
InChIInChI=1S/C16H23BrN2O/c1-9-6-7-11(17)10(8-9)12(20)19-14-15(2,3)13(18)16(14,4)5/h6-8,13-14H,18H2,1-5H3,(H,19,20)
InChIKeyLPDSZCALDPGWCL-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide
CID 79711256
2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319
N-(1-bicyclo[1.1.1]pentanyl)-2-bromo-5-methylbenzamide
CID 172646961
2-hydrazinyl-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79357089
2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 114027695
2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-5-methylbenzamide
CID 104693584
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
N-(3-amino-2,2-dimethylcyclobutyl)-2,5-dimethylbenzamide
CID 114632412
2-[(2-bromo-5-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211629
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide
CID 79698778
2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide
CID 81110326
2-bromo-5-methyl-N-(1-methylcyclopentyl)benzamide
CID 80987670

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide (CID 81111796) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NC2C(C)(C)C(N)C2(C)C)c1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide?
The InChIKey is LPDSZCALDPGWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-9-6-7-11(17)10(8-9)12(20)19-14-15(2,3)13(18)16(14,4)5/h6-8,13-14H,18H2,1-5H3,(H,19,20).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide has a molecular weight of 339.28 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide is sourced from PubChem (CID 81111796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).