(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide

C13H16BrN5O — CID 97329664

IUPAC(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide
SMILESCN(Cc1ncnn1C)[C@@H](C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C13H16BrN5O/c1-18(7-11-16-8-17-19(11)2)12(13(15)20)9-4-3-5-10(14)6-9/h3-6,8,12H,7H2,1-2H3,(H2,15,20)/t12-/m1/s1
InChIKeySNGOMDMUJSUCMH-GFCCVEGCSA-N
MW338.21 g/mol
LogP1.24
Rot. Bonds5

About (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide

(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide (PubChem CID 97329664) has the molecular formula C13H16BrN5O and a molecular weight of 338.21 g/mol. Its IUPAC name is (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide
PubChem CID97329664
Molecular FormulaC13H16BrN5O
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC Name(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide
SMILESCN(Cc1ncnn1C)[C@@H](C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C13H16BrN5O/c1-18(7-11-16-8-17-19(11)2)12(13(15)20)9-4-3-5-10(14)6-9/h3-6,8,12H,7H2,1-2H3,(H2,15,20)/t12-/m1/s1
InChIKeySNGOMDMUJSUCMH-GFCCVEGCSA-N
XLogP1.24
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(3-methoxyphenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]ethanol
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide?
The IUPAC name of (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide (CID 97329664) is (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide.
What is the SMILES notation for (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide?
The canonical SMILES for (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide is CN(Cc1ncnn1C)[C@@H](C(N)=O)c1cccc(Br)c1.
What is the InChIKey of (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide?
The InChIKey is SNGOMDMUJSUCMH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16BrN5O/c1-18(7-11-16-8-17-19(11)2)12(13(15)20)9-4-3-5-10(14)6-9/h3-6,8,12H,7H2,1-2H3,(H2,15,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide?
(2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide has a molecular weight of 338.21 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenyl)-2-[methyl-[(2-methyl-1,2,4-triazol-3-yl)methyl]amino]acetamide is sourced from PubChem (CID 97329664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).