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

C10H8BrClN4O — CID 166188233

IUPACN-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(Cn1cnnc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C10H8BrClN4O/c11-7-1-2-9(8(12)3-7)15-10(17)4-16-5-13-14-6-16/h1-3,5-6H,4H2,(H,15,17)
InChIKeyPKIHHVCBYOYZLV-UHFFFAOYSA-N
MW315.56 g/mol
LogP2.33
Rot. Bonds3

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

N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide (PubChem CID 166188233) has the molecular formula C10H8BrClN4O and a molecular weight of 315.56 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide
PubChem CID166188233
Molecular FormulaC10H8BrClN4O
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(Cn1cnnc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C10H8BrClN4O/c11-7-1-2-9(8(12)3-7)15-10(17)4-16-5-13-14-6-16/h1-3,5-6H,4H2,(H,15,17)
InChIKeyPKIHHVCBYOYZLV-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-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
N-(4-bromo-2-chlorophenyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 51536649
N-(4-bromo-2-chlorophenyl)-2-(4-bromophenyl)acetamide
CID 7924446
N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469594
2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
CID 24564935
1-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]triazole-4-carboxylic acid
CID 62060401
2-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]acetic acid
CID 60662460
N-(4-bromo-2-chlorophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741026
3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide
CID 64684964
2-[4-[2-(4-bromo-2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethylacetamide
CID 36894666
N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197692
N-(4-bromo-2-chlorophenyl)-2-cyanoacetamide
CID 43347407

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide (CID 166188233) is N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide is O=C(Cn1cnnc1)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is PKIHHVCBYOYZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O/c11-7-1-2-9(8(12)3-7)15-10(17)4-16-5-13-14-6-16/h1-3,5-6H,4H2,(H,15,17).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide?
N-(4-bromo-2-chlorophenyl)-2-(1,2,4-triazol-4-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-2-chlorophenyl)-2-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 166188233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).