N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide

C14H18BrN5O — CID 66193364

IUPACN-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
SMILESCC(C)NCc1cn(CC(=O)Nc2ccccc2Br)nn1
InChIInChI=1S/C14H18BrN5O/c1-10(2)16-7-11-8-20(19-18-11)9-14(21)17-13-6-4-3-5-12(13)15/h3-6,8,10,16H,7,9H2,1-2H3,(H,17,21)
InChIKeyYSVZOUYGHGZSJE-UHFFFAOYSA-N
MW352.24 g/mol
LogP2.18
Rot. Bonds6

About N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide

N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide (PubChem CID 66193364) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
PubChem CID66193364
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC NameN-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
SMILESCC(C)NCc1cn(CC(=O)Nc2ccccc2Br)nn1
InChIInChI=1S/C14H18BrN5O/c1-10(2)16-7-11-8-20(19-18-11)9-14(21)17-13-6-4-3-5-12(13)15/h3-6,8,10,16H,7,9H2,1-2H3,(H,17,21)
InChIKeyYSVZOUYGHGZSJE-UHFFFAOYSA-N
XLogP2.18
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194141
N'-acetyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetohydrazide
CID 66194155
N-(2-acetamidoethyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193581
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 66194658
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194550
2-[1-[2-(2-methylanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461798
N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399987
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054
1-(azocan-1-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethanone
CID 66192997
N-(4-bromo-2-chlorophenyl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66193871
N-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309546
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide (CID 66193364) is N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide is CC(C)NCc1cn(CC(=O)Nc2ccccc2Br)nn1.
What is the InChIKey of N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
The InChIKey is YSVZOUYGHGZSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-10(2)16-7-11-8-20(19-18-11)9-14(21)17-13-6-4-3-5-12(13)15/h3-6,8,10,16H,7,9H2,1-2H3,(H,17,21).
What are the key properties of N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide?
N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide has a molecular weight of 352.24 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 66193364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).