N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline

C13H10Cl2N4 — CID 683943

IUPACN-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline
SMILESClc1ccc(Cl)c(NCn2nnc3ccccc32)c1
InChIInChI=1S/C13H10Cl2N4/c14-9-5-6-10(15)12(7-9)16-8-19-13-4-2-1-3-11(13)17-18-19/h1-7,16H,8H2
InChIKeyFQBHFCCYJGLNRV-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.81
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline

N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline (PubChem CID 683943) has the molecular formula C13H10Cl2N4 and a molecular weight of 293.16 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline
PubChem CID683943
Molecular FormulaC13H10Cl2N4
Molecular Weight293.16 g/mol
Exact Mass292.03
IUPAC NameN-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline
SMILESClc1ccc(Cl)c(NCn2nnc3ccccc32)c1
InChIInChI=1S/C13H10Cl2N4/c14-9-5-6-10(15)12(7-9)16-8-19-13-4-2-1-3-11(13)17-18-19/h1-7,16H,8H2
InChIKeyFQBHFCCYJGLNRV-UHFFFAOYSA-N
XLogP3.81
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzotriazol-1-ylmethyl)-2,3-dichloroaniline
CID 761479
2-(benzotriazol-1-ylmethylamino)-5-chlorobenzoate
CID 6989643
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
CID 3696751
1-[(4-chlorophenyl)methyl]benzotriazole
CID 894883
N-(benzotriazol-1-ylmethyl)-2-methoxyaniline
CID 708613
1-(benzotriazol-1-yl)-N-methoxymethanamine
CID 130251887
2-N,6-N-bis(benzotriazol-1-ylmethyl)pyridine-2,6-diamine
CID 1240078
2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 53377790
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23964451
2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide
CID 134013479
1-[2-[(2,5-dichlorophenyl)methoxy]-2-phenylethyl]benzotriazole
CID 123972162
N-(benzotriazol-1-ylmethyl)-1,3-benzoxazol-4-amine
CID 3365598

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline (CID 683943) is N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline is Clc1ccc(Cl)c(NCn2nnc3ccccc32)c1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline?
The InChIKey is FQBHFCCYJGLNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4/c14-9-5-6-10(15)12(7-9)16-8-19-13-4-2-1-3-11(13)17-18-19/h1-7,16H,8H2.
What are the key properties of N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline?
N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline has a molecular weight of 293.16 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-2,5-dichloroaniline is sourced from PubChem (CID 683943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).