2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline

C14H11ClFN5 — CID 61376419

IUPAC2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline
SMILESNc1cc(-c2nnnn2Cc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C14H11ClFN5/c15-12-5-4-10(7-13(12)17)14-18-19-20-21(14)8-9-2-1-3-11(16)6-9/h1-7H,8,17H2
InChIKeyHDKJEOSKPKKZKM-UHFFFAOYSA-N
MW303.73 g/mol
LogP2.76
Rot. Bonds3

About 2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline

2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline (PubChem CID 61376419) has the molecular formula C14H11ClFN5 and a molecular weight of 303.73 g/mol. Its IUPAC name is 2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline
PubChem CID61376419
Molecular FormulaC14H11ClFN5
Molecular Weight303.73 g/mol
Exact Mass303.07
IUPAC Name2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline
SMILESNc1cc(-c2nnnn2Cc2cccc(F)c2)ccc1Cl
InChIInChI=1S/C14H11ClFN5/c15-12-5-4-10(7-13(12)17)14-18-19-20-21(14)8-9-2-1-3-11(16)6-9/h1-7H,8,17H2
InChIKeyHDKJEOSKPKKZKM-UHFFFAOYSA-N
XLogP2.76
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline (CID 61376419) is 2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline is Nc1cc(-c2nnnn2Cc2cccc(F)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is HDKJEOSKPKKZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5/c15-12-5-4-10(7-13(12)17)14-18-19-20-21(14)8-9-2-1-3-11(16)6-9/h1-7H,8,17H2.
What are the key properties of 2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline?
2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 303.73 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 61376419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).