N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline

C15H12BrClN4 — CID 83232418

IUPACN-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline
SMILESClc1ccc(CNc2ccccc2-n2ccnn2)cc1Br
InChIInChI=1S/C15H12BrClN4/c16-12-9-11(5-6-13(12)17)10-18-14-3-1-2-4-15(14)21-8-7-19-20-21/h1-9,18H,10H2
InChIKeyUQGZLODDQBWMEW-UHFFFAOYSA-N
MW363.65 g/mol
LogP4.30
Rot. Bonds4

About N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline

N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline (PubChem CID 83232418) has the molecular formula C15H12BrClN4 and a molecular weight of 363.65 g/mol. Its IUPAC name is N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline
PubChem CID83232418
Molecular FormulaC15H12BrClN4
Molecular Weight363.65 g/mol
Exact Mass361.99
IUPAC NameN-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline
SMILESClc1ccc(CNc2ccccc2-n2ccnn2)cc1Br
InChIInChI=1S/C15H12BrClN4/c16-12-9-11(5-6-13(12)17)10-18-14-3-1-2-4-15(14)21-8-7-19-20-21/h1-9,18H,10H2
InChIKeyUQGZLODDQBWMEW-UHFFFAOYSA-N
XLogP4.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.65
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705684
N-[(3-bromofuran-2-yl)methyl]-2-(triazol-1-yl)aniline
CID 106885128
N-[(4-bromo-2-fluorophenyl)methyl]-2-(triazol-1-yl)aniline
CID 43676139
4-chloro-2-[[2-(triazol-1-yl)anilino]methyl]phenol
CID 43676172
N-prop-2-ynyl-2-(triazol-1-yl)aniline
CID 63951872
N-[(3-bromo-4-chlorophenyl)methyl]-2-thiophen-2-ylaniline
CID 83232608
5-[(3-bromo-4-chlorophenyl)methylamino]naphthalen-1-ol
CID 83232776
2-bromo-4-[[2-(1,2,4-triazol-1-yl)anilino]methyl]phenol
CID 63047079
N-[(3-bromo-4-chlorophenyl)methyl]-3-fluoro-2-methylaniline
CID 83229913
N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43784031
N-[(3-bromo-4-chlorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 83236223
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(triazol-1-yl)aniline
CID 66163095

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline?
The IUPAC name of N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline (CID 83232418) is N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline.
What is the SMILES notation for N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline?
The canonical SMILES for N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline is Clc1ccc(CNc2ccccc2-n2ccnn2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline?
The InChIKey is UQGZLODDQBWMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN4/c16-12-9-11(5-6-13(12)17)10-18-14-3-1-2-4-15(14)21-8-7-19-20-21/h1-9,18H,10H2.
What are the key properties of N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline?
N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline has a molecular weight of 363.65 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-chlorophenyl)methyl]-2-(triazol-1-yl)aniline is sourced from PubChem (CID 83232418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).