N-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide

C15H15BrN4O — CID 133110112

IUPACN-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide
SMILESO=C(Nc1ccccc1Br)C1NNNC1c1ccccc1
InChIInChI=1S/C15H15BrN4O/c16-11-8-4-5-9-12(11)17-15(21)14-13(18-20-19-14)10-6-2-1-3-7-10/h1-9,13-14,18-20H,(H,17,21)
InChIKeyGDCDWMIYSBGAMJ-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.11
Rot. Bonds3

About N-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide

N-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide (PubChem CID 133110112) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide
PubChem CID133110112
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC NameN-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide
SMILESO=C(Nc1ccccc1Br)C1NNNC1c1ccccc1
InChIInChI=1S/C15H15BrN4O/c16-11-8-4-5-9-12(11)17-15(21)14-13(18-20-19-14)10-6-2-1-3-7-10/h1-9,13-14,18-20H,(H,17,21)
InChIKeyGDCDWMIYSBGAMJ-UHFFFAOYSA-N
XLogP2.11
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[(2-bromophenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
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N-(2-bromo-4-methylphenyl)-5-(4-phenoxyanilino)triazolidine-4-carboxamide
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N,N'-bis(2-bromophenyl)butanediamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide (CID 133110112) is N-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide is O=C(Nc1ccccc1Br)C1NNNC1c1ccccc1.
What is the InChIKey of N-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide?
The InChIKey is GDCDWMIYSBGAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c16-11-8-4-5-9-12(11)17-15(21)14-13(18-20-19-14)10-6-2-1-3-7-10/h1-9,13-14,18-20H,(H,17,21).
What are the key properties of N-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide?
N-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide has a molecular weight of 347.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-phenyltriazolidine-4-carboxamide is sourced from PubChem (CID 133110112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).