N-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide

C19H18BrN5O2 — CID 56528757

IUPACN-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide
SMILESCc1nc(-c2ccccc2)n(CC(=O)NCC(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C19H18BrN5O2/c1-13-22-19(14-7-3-2-4-8-14)25(24-13)12-18(27)21-11-17(26)23-16-10-6-5-9-15(16)20/h2-10H,11-12H2,1H3,(H,21,27)(H,23,26)
InChIKeyWYNCXQMDPJCZOT-UHFFFAOYSA-N
MW428.29 g/mol
LogP2.77
Rot. Bonds6

About N-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide

N-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide (PubChem CID 56528757) has the molecular formula C19H18BrN5O2 and a molecular weight of 428.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide
PubChem CID56528757
Molecular FormulaC19H18BrN5O2
Molecular Weight428.29 g/mol
Exact Mass427.06
IUPAC NameN-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide
SMILESCc1nc(-c2ccccc2)n(CC(=O)NCC(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C19H18BrN5O2/c1-13-22-19(14-7-3-2-4-8-14)25(24-13)12-18(27)21-11-17(26)23-16-10-6-5-9-15(16)20/h2-10H,11-12H2,1H3,(H,21,27)(H,23,26)
InChIKeyWYNCXQMDPJCZOT-UHFFFAOYSA-N
XLogP2.77
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetic acid
CID 82512631
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CID 30795414
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide
CID 50812937
N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
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N-[2-(2-bromoanilino)-2-oxoethyl]pentanamide
CID 18112658
N-(2-bromophenyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115885261
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CID 26622776
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CID 26570245
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 27956228
N-(2-bromophenyl)-2-(2-methylsulfanylethylamino)acetamide
CID 60646717
N-[2-(2-bromoanilino)-2-oxoethyl]quinoxaline-2-carboxamide
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(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide
CID 9440741

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide (CID 56528757) is N-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide is Cc1nc(-c2ccccc2)n(CC(=O)NCC(=O)Nc2ccccc2Br)n1.
What is the InChIKey of N-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide?
The InChIKey is WYNCXQMDPJCZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN5O2/c1-13-22-19(14-7-3-2-4-8-14)25(24-13)12-18(27)21-11-17(26)23-16-10-6-5-9-15(16)20/h2-10H,11-12H2,1H3,(H,21,27)(H,23,26).
What are the key properties of N-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide?
N-(2-bromophenyl)-2-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide has a molecular weight of 428.29 g/mol, XLogP of 2.77, 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-[[2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetyl]amino]acetamide is sourced from PubChem (CID 56528757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).