2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline

C16H13F2N5O — CID 625468

IUPAC2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
SMILESCOc1ccc(-n2nnnc2C=CNc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H13F2N5O/c1-24-13-5-3-12(4-6-13)23-16(20-21-22-23)8-9-19-15-7-2-11(17)10-14(15)18/h2-10,19H,1H3
InChIKeyXLAXTCHHUOBQJV-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.03
Rot. Bonds5

About 2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline

2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline (PubChem CID 625468) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
PubChem CID625468
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC Name2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
SMILESCOc1ccc(-n2nnnc2C=CNc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H13F2N5O/c1-24-13-5-3-12(4-6-13)23-16(20-21-22-23)8-9-19-15-7-2-11(17)10-14(15)18/h2-10,19H,1H3
InChIKeyXLAXTCHHUOBQJV-UHFFFAOYSA-N
XLogP3.03
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5378117
4-chloro-2-fluoro-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5368531
4-[[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenol
CID 135533459
N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-2-methylaniline
CID 593987
N-[(Z)-2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-4-(trifluoromethoxy)aniline
CID 5369007
1-[3-[[(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 6031982
(E)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]-N,N-dimethylethenamine
CID 5367722
methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
CID 10043795
4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline
CID 27125700
2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile
CID 2729593
4-chloro-2-[2-(1-naphthalen-2-yltetrazol-5-yl)ethenylamino]benzonitrile
CID 4175956
1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 10403670

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline?
The IUPAC name of 2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline (CID 625468) is 2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline.
What is the SMILES notation for 2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline?
The canonical SMILES for 2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline is COc1ccc(-n2nnnc2C=CNc2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline?
The InChIKey is XLAXTCHHUOBQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c1-24-13-5-3-12(4-6-13)23-16(20-21-22-23)8-9-19-15-7-2-11(17)10-14(15)18/h2-10,19H,1H3.
What are the key properties of 2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline?
2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline has a molecular weight of 329.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]aniline is sourced from PubChem (CID 625468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).