4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide

C15H11BrN4O — CID 50882091

IUPAC4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN4O/c16-12-3-1-11(2-4-12)15(21)19-13-5-7-14(8-6-13)20-9-17-18-10-20/h1-10H,(H,19,21)
InChIKeyPECPFRLKGGQDTJ-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.28
Rot. Bonds3

About 4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide

4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide (PubChem CID 50882091) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
PubChem CID50882091
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN4O/c16-12-3-1-11(2-4-12)15(21)19-13-5-7-14(8-6-13)20-9-17-18-10-20/h1-10H,(H,19,21)
InChIKeyPECPFRLKGGQDTJ-UHFFFAOYSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide
CID 99797834
2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide
CID 51701461
N-(3,4-dicyanophenyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 75517629
N-(3-hydroxyphenyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 6459181
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
N-(4-bromophenyl)-4-(5-methyltriazol-1-yl)benzamide
CID 16648820
3-chloro-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882082
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
[4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite
CID 21148482
potassium 4-[(4-bromobenzoyl)amino]benzoate
CID 144812194
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970
4-pyrrol-1-yl-N-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]benzamide
CID 84579886

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide (CID 50882091) is 4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide is O=C(Nc1ccc(-n2cnnc2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide?
The InChIKey is PECPFRLKGGQDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-12-3-1-11(2-4-12)15(21)19-13-5-7-14(8-6-13)20-9-17-18-10-20/h1-10H,(H,19,21).
What are the key properties of 4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide?
4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide has a molecular weight of 343.18 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 50882091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).