N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline

C14H10ClF2N5 — CID 55820884

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
SMILESFc1ccc(-n2cnnn2)cc1NCc1c(F)cccc1Cl
InChIInChI=1S/C14H10ClF2N5/c15-11-2-1-3-12(16)10(11)7-18-14-6-9(4-5-13(14)17)22-8-19-20-21-22/h1-6,8,18H,7H2
InChIKeyRDFVJQLKYIUUHS-UHFFFAOYSA-N
MW321.72 g/mol
LogP3.21
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline

N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline (PubChem CID 55820884) has the molecular formula C14H10ClF2N5 and a molecular weight of 321.72 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
PubChem CID55820884
Molecular FormulaC14H10ClF2N5
Molecular Weight321.72 g/mol
Exact Mass321.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
SMILESFc1ccc(-n2cnnn2)cc1NCc1c(F)cccc1Cl
InChIInChI=1S/C14H10ClF2N5/c15-11-2-1-3-12(16)10(11)7-18-14-6-9(4-5-13(14)17)22-8-19-20-21-22/h1-6,8,18H,7H2
InChIKeyRDFVJQLKYIUUHS-UHFFFAOYSA-N
XLogP3.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 53.21
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-[(4-chlorophenyl)methyl]-5-(tetrazol-1-yl)aniline
CID 43697927
N-[(5-ethylfuran-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
CID 62346177
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoroaniline
CID 43555320
N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline
CID 115380162
2-(2-chloro-6-fluorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2534187
1-(4-chloro-3-fluorophenyl)tetrazole
CID 91105491
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109
N-[(3-fluorophenyl)methyl]-2-methyl-5-(tetrazol-1-yl)aniline
CID 43700188
N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
CID 69010950
N-[(2,4-dichlorophenyl)methyl]-3-(tetrazol-1-yl)aniline
CID 43231375

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline (CID 55820884) is N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline is Fc1ccc(-n2cnnn2)cc1NCc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline?
The InChIKey is RDFVJQLKYIUUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N5/c15-11-2-1-3-12(16)10(11)7-18-14-6-9(4-5-13(14)17)22-8-19-20-21-22/h1-6,8,18H,7H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline?
N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline has a molecular weight of 321.72 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-fluoro-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 55820884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).