2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide

C15H10Br2N4O — CID 51701461

IUPAC2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-n2cnnc2)ccc1Br
InChIInChI=1S/C15H10Br2N4O/c16-10-1-3-11(4-2-10)20-15(22)13-7-12(5-6-14(13)17)21-8-18-19-9-21/h1-9H,(H,20,22)
InChIKeyRQGZPTHMXMFPGO-UHFFFAOYSA-N
MW422.08 g/mol
LogP4.04
Rot. Bonds3

About 2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide

2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 51701461) has the molecular formula C15H10Br2N4O and a molecular weight of 422.08 g/mol. Its IUPAC name is 2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID51701461
Molecular FormulaC15H10Br2N4O
Molecular Weight422.08 g/mol
Exact Mass419.92
IUPAC Name2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-n2cnnc2)ccc1Br
InChIInChI=1S/C15H10Br2N4O/c16-10-1-3-11(4-2-10)20-15(22)13-7-12(5-6-14(13)17)21-8-18-19-9-21/h1-9H,(H,20,22)
InChIKeyRQGZPTHMXMFPGO-UHFFFAOYSA-N
XLogP4.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.08
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882091
2-bromo-N-[3-(butanoylamino)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 51701489
5-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]pyridine-2-carboxamide
CID 99797834
2-bromo-N-[(1R)-1-phenylethyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 51701500
2-bromo-N-[5-[(2R)-butan-2-yl]-2-hydroxyphenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 51701480
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 1242037
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
2-bromo-N-(4-imidazol-1-ylphenyl)benzamide
CID 37239314
2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 166181364
5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208
2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide
CID 114370108

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide (CID 51701461) is 2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide is O=C(Nc1ccc(Br)cc1)c1cc(-n2cnnc2)ccc1Br.
What is the InChIKey of 2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is RQGZPTHMXMFPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N4O/c16-10-1-3-11(4-2-10)20-15(22)13-7-12(5-6-14(13)17)21-8-18-19-9-21/h1-9H,(H,20,22).
What are the key properties of 2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide?
2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 422.08 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromophenyl)-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 51701461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).