2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline

C14H11Cl2N5 — CID 43697927

IUPAC2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline
SMILESClc1ccc(CNc2cc(-n3cnnn3)ccc2Cl)cc1
InChIInChI=1S/C14H11Cl2N5/c15-11-3-1-10(2-4-11)8-17-14-7-12(5-6-13(14)16)21-9-18-19-20-21/h1-7,9,17H,8H2
InChIKeyZKOCLSVRKTYDCS-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.58
Rot. Bonds4

About 2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline

2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline (PubChem CID 43697927) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline
PubChem CID43697927
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline
SMILESClc1ccc(CNc2cc(-n3cnnn3)ccc2Cl)cc1
InChIInChI=1S/C14H11Cl2N5/c15-11-3-1-10(2-4-11)8-17-14-7-12(5-6-13(14)16)21-9-18-19-20-21/h1-7,9,17H,8H2
InChIKeyZKOCLSVRKTYDCS-UHFFFAOYSA-N
XLogP3.58
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43698278
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline
CID 81308331
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine
CID 66386543
2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline
CID 62072086
N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
CID 55820884
N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol
CID 81401098
1-(4-chloro-3-fluorophenyl)tetrazole
CID 91105491
2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline
CID 43698130
3-chloro-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63679222
2-chloro-N-(1-methoxypropan-2-yl)-5-(tetrazol-1-yl)aniline
CID 55086376
2-methyl-N-(pyrimidin-5-ylmethyl)-5-(tetrazol-1-yl)aniline
CID 62760274

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline (CID 43697927) is 2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline is Clc1ccc(CNc2cc(-n3cnnn3)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline?
The InChIKey is ZKOCLSVRKTYDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c15-11-3-1-10(2-4-11)8-17-14-7-12(5-6-13(14)16)21-9-18-19-20-21/h1-7,9,17H,8H2.
What are the key properties of 2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline?
2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline has a molecular weight of 320.18 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43697927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).