(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide

C12H15BrN6O — CID 124626246

IUPAC(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide
SMILESCN(Cc1nnn(C)n1)[C@@H](C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN6O/c1-18(7-10-15-17-19(2)16-10)11(12(14)20)8-4-3-5-9(13)6-8/h3-6,11H,7H2,1-2H3,(H2,14,20)/t11-/m1/s1
InChIKeyGWIXAGOALRLICY-LLVKDONJSA-N
MW339.20 g/mol
LogP0.63
Rot. Bonds5

About (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide

(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide (PubChem CID 124626246) has the molecular formula C12H15BrN6O and a molecular weight of 339.20 g/mol. Its IUPAC name is (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide
PubChem CID124626246
Molecular FormulaC12H15BrN6O
Molecular Weight339.20 g/mol
Exact Mass338.05
IUPAC Name(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide
SMILESCN(Cc1nnn(C)n1)[C@@H](C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN6O/c1-18(7-10-15-17-19(2)16-10)11(12(14)20)8-4-3-5-9(13)6-8/h3-6,11H,7H2,1-2H3,(H2,14,20)/t11-/m1/s1
InChIKeyGWIXAGOALRLICY-LLVKDONJSA-N
XLogP0.63
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide
CID 97329664
(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 97331831
1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048405
(2S)-2-(3-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 129392791
1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048532
2-(3-fluorophenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 71986954
N-[(1S)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-1-benzyl-N,5-dimethylpyrazole-4-carboxamide
CID 97260205
2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine
CID 107054322
2-(3-bromophenyl)-2-[methyl(2-pyrazin-2-ylethyl)amino]acetic acid
CID 154746793
N-[(1S)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-2,5-dichloro-N-methylthiophene-3-carboxamide
CID 97258344
2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
CID 110009403
(1R)-2-[benzyl-[(2-methyltetrazol-5-yl)methyl]amino]-1-(3-methylphenyl)ethanol
CID 129402782

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide?
The IUPAC name of (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide (CID 124626246) is (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide is CN(Cc1nnn(C)n1)[C@@H](C(N)=O)c1cccc(Br)c1.
What is the InChIKey of (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide?
The InChIKey is GWIXAGOALRLICY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15BrN6O/c1-18(7-10-15-17-19(2)16-10)11(12(14)20)8-4-3-5-9(13)6-8/h3-6,11H,7H2,1-2H3,(H2,14,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide?
(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide has a molecular weight of 339.20 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 124626246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).