N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide

C14H21BrN2O — CID 79652685

IUPACN-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
SMILESCc1c(Br)cccc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C14H21BrN2O/c1-10-11(6-5-7-12(10)15)13(18)17(4)9-14(2,3)8-16/h5-7H,8-9,16H2,1-4H3
InChIKeyGTAJIRDCTDTTNP-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.81
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide

N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide (PubChem CID 79652685) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
PubChem CID79652685
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
SMILESCc1c(Br)cccc1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C14H21BrN2O/c1-10-11(6-5-7-12(10)15)13(18)17(4)9-14(2,3)8-16/h5-7H,8-9,16H2,1-4H3
InChIKeyGTAJIRDCTDTTNP-UHFFFAOYSA-N
XLogP2.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N,2,3-trimethylbenzamide
CID 79652302
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-chloro-N-methylbenzamide;hydrochloride
CID 119656122
3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide
CID 80666003
N-(3-amino-2,2-dimethylpropyl)-7-bromo-N-methyl-1-benzofuran-2-carboxamide
CID 79652409
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide
CID 119655514
3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199925
N-(3-amino-2,2-dimethylpropyl)-2-ethoxy-3-fluoro-N-methylbenzamide
CID 119652887
N-(3-amino-2,2-dimethylpropyl)-2-(ethylsulfonylamino)-N-methylbenzamide
CID 119656314
N-(3-amino-2,2-dimethylpropyl)-2-(4-bromophenoxy)-N-methylpyridine-3-carboxamide
CID 119653810
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide (CID 79652685) is N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide is Cc1c(Br)cccc1C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide?
The InChIKey is GTAJIRDCTDTTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10-11(6-5-7-12(10)15)13(18)17(4)9-14(2,3)8-16/h5-7H,8-9,16H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide has a molecular weight of 313.24 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide is sourced from PubChem (CID 79652685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).