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

C14H11ClFN5 — CID 43698278

IUPAC2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline
SMILESFc1ccccc1CNc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C14H11ClFN5/c15-12-6-5-11(21-9-18-19-20-21)7-14(12)17-8-10-3-1-2-4-13(10)16/h1-7,9,17H,8H2
InChIKeyJLYNCXGCKVWWKJ-UHFFFAOYSA-N
MW303.73 g/mol
LogP3.07
Rot. Bonds4

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

2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline (PubChem CID 43698278) has the molecular formula C14H11ClFN5 and a molecular weight of 303.73 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline
PubChem CID43698278
Molecular FormulaC14H11ClFN5
Molecular Weight303.73 g/mol
Exact Mass303.07
IUPAC Name2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline
SMILESFc1ccccc1CNc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C14H11ClFN5/c15-12-6-5-11(21-9-18-19-20-21)7-14(12)17-8-10-3-1-2-4-13(10)16/h1-7,9,17H,8H2
InChIKeyJLYNCXGCKVWWKJ-UHFFFAOYSA-N
XLogP3.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43697927
N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
CID 55820884
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]thiophen-3-amine
CID 66386543
1-(4-chloro-3-fluorophenyl)tetrazole
CID 91105491
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline
CID 81308331
2-chloro-N-(cyclopentylmethyl)-5-(tetrazol-1-yl)aniline
CID 62072086
N-[(2,5-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 103696972
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide
CID 103514936
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
2-[[2-chloro-5-(tetrazol-1-yl)anilino]methyl]-2-ethylbutan-1-ol
CID 81401098
N-benzyl-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700273
2-chloro-N-(3-methylbutan-2-yl)-5-(tetrazol-1-yl)aniline
CID 43698130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline (CID 43698278) is 2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline is Fc1ccccc1CNc1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline?
The InChIKey is JLYNCXGCKVWWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5/c15-12-6-5-11(21-9-18-19-20-21)7-14(12)17-8-10-3-1-2-4-13(10)16/h1-7,9,17H,8H2.
What are the key properties of 2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline?
2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline has a molecular weight of 303.73 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-fluorophenyl)methyl]-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43698278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).