N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide

C10H8BrClN4O — CID 103824714

IUPACN-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H8BrClN4O/c11-8-2-1-7(5-9(8)12)14-10(17)6-16-4-3-13-15-16/h1-5H,6H2,(H,14,17)
InChIKeyYJOWJCUGYHWNFC-UHFFFAOYSA-N
MW315.56 g/mol
LogP2.33
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide

N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide (PubChem CID 103824714) has the molecular formula C10H8BrClN4O and a molecular weight of 315.56 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide
PubChem CID103824714
Molecular FormulaC10H8BrClN4O
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H8BrClN4O/c11-8-2-1-7(5-9(8)12)14-10(17)6-16-4-3-13-15-16/h1-5H,6H2,(H,14,17)
InChIKeyYJOWJCUGYHWNFC-UHFFFAOYSA-N
XLogP2.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.56
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide
CID 103824710
N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide
CID 79832173
N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
CID 82885275
N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide
CID 113290212
2-methyl-5-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291668
3-chloro-5-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 115348267
N-[4-bromo-3-[(3S)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-2-(triazol-1-yl)acetamide
CID 155515130
N-(4-bromo-3-chlorophenyl)-2-(5-bromoindol-1-yl)acetamide
CID 4063742
N-[4-(3-aminoprop-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide
CID 115348507
N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide
CID 75448832
N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide
CID 81479348
N-(4-bromo-3-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 103825492

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide (CID 103824714) is N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide?
The InChIKey is YJOWJCUGYHWNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O/c11-8-2-1-7(5-9(8)12)14-10(17)6-16-4-3-13-15-16/h1-5H,6H2,(H,14,17).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide?
N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide has a molecular weight of 315.56 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 103824714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).