2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline

C19H14Cl2N6O — CID 60536584

IUPAC2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline
SMILESClc1cnc(Oc2ccccc2NCc2nnnn2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C19H14Cl2N6O/c20-13-10-15(21)19(23-11-13)28-17-9-5-4-8-16(17)22-12-18-24-25-26-27(18)14-6-2-1-3-7-14/h1-11,22H,12H2
InChIKeyXDBFUIOQVQQNQD-UHFFFAOYSA-N
MW413.27 g/mol
LogP4.77
Rot. Bonds6

About 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline

2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline (PubChem CID 60536584) has the molecular formula C19H14Cl2N6O and a molecular weight of 413.27 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline
PubChem CID60536584
Molecular FormulaC19H14Cl2N6O
Molecular Weight413.27 g/mol
Exact Mass412.06
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline
SMILESClc1cnc(Oc2ccccc2NCc2nnnn2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C19H14Cl2N6O/c20-13-10-15(21)19(23-11-13)28-17-9-5-4-8-16(17)22-12-18-24-25-26-27(18)14-6-2-1-3-7-14/h1-11,22H,12H2
InChIKeyXDBFUIOQVQQNQD-UHFFFAOYSA-N
XLogP4.77
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[(1-phenyltetrazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 47037686
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide
CID 60536795
2-chloro-6-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline
CID 104530691
2-(difluoromethoxy)-5-fluoro-N-[(1-phenyltetrazol-5-yl)methyl]aniline
CID 75380226
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 55727529
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 112831271
1-(2,4-dichlorophenyl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 47010886
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 60536820
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60562318
[4-chloro-2-[(1-phenyltetrazol-5-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone
CID 60536231
methyl 2,4-difluoro-5-[(1-phenyltetrazol-5-yl)methylamino]benzoate
CID 47063754
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 60536689

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline (CID 60536584) is 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline is Clc1cnc(Oc2ccccc2NCc2nnnn2-c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
The InChIKey is XDBFUIOQVQQNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N6O/c20-13-10-15(21)19(23-11-13)28-17-9-5-4-8-16(17)22-12-18-24-25-26-27(18)14-6-2-1-3-7-14/h1-11,22H,12H2.
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline?
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline has a molecular weight of 413.27 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(1-phenyltetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 60536584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).