2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline

C14H11Cl2N5 — CID 154110060

IUPAC2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline
SMILESClc1cccc(Cl)c1Nc1ccccc1Cc1nn[nH]n1
InChIInChI=1S/C14H11Cl2N5/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13-18-20-21-19-13/h1-7,17H,8H2,(H,18,19,20,21)
InChIKeyHRXTZFGGIQJVTH-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.84
Rot. Bonds4

About 2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline

2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline (PubChem CID 154110060) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline
PubChem CID154110060
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline
SMILESClc1cccc(Cl)c1Nc1ccccc1Cc1nn[nH]n1
InChIInChI=1S/C14H11Cl2N5/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13-18-20-21-19-13/h1-7,17H,8H2,(H,18,19,20,21)
InChIKeyHRXTZFGGIQJVTH-UHFFFAOYSA-N
XLogP3.84
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(naphthalen-1-ylmethyl)-2H-tetrazole
CID 2988287
N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499380
N-(2,3-dichlorophenyl)-2H-tetrazol-5-amine
CID 69263868
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2,6-dichloro-N-[2-[2-(dimethylamino)ethyl]phenyl]aniline
CID 68796254
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
CID 125465363
2-[2-(2,6-dichloroanilino)phenyl]ethanone;oxosilver
CID 171593274
2-chloro-6-(2H-tetrazol-5-ylmethylamino)benzonitrile
CID 62502767
[2-(2,6-dichloroanilino)phenyl]methyl formate
CID 88975698
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline?
The IUPAC name of 2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline (CID 154110060) is 2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline.
What is the SMILES notation for 2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline?
The canonical SMILES for 2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline is Clc1cccc(Cl)c1Nc1ccccc1Cc1nn[nH]n1.
What is the InChIKey of 2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline?
The InChIKey is HRXTZFGGIQJVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13-18-20-21-19-13/h1-7,17H,8H2,(H,18,19,20,21).
What are the key properties of 2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline?
2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline has a molecular weight of 320.18 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(2H-tetrazol-5-ylmethyl)phenyl]aniline is sourced from PubChem (CID 154110060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).