4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide

C16H13F2N5O2 — CID 94386508

IUPAC4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnn(C[C@H](O)c3c(F)cccc3F)n2)cc1
InChIInChI=1S/C16H13F2N5O2/c17-11-2-1-3-12(18)14(11)13(24)8-23-21-16(20-22-23)10-6-4-9(5-7-10)15(19)25/h1-7,13,24H,8H2,(H2,19,25)/t13-/m0/s1
InChIKeyNAECXAOIJNGIEO-ZDUSSCGKSA-N
MW345.31 g/mol
LogP1.45
Rot. Bonds5

About 4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide

4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide (PubChem CID 94386508) has the molecular formula C16H13F2N5O2 and a molecular weight of 345.31 g/mol. Its IUPAC name is 4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide
PubChem CID94386508
Molecular FormulaC16H13F2N5O2
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnn(C[C@H](O)c3c(F)cccc3F)n2)cc1
InChIInChI=1S/C16H13F2N5O2/c17-11-2-1-3-12(18)14(11)13(24)8-23-21-16(20-22-23)10-6-4-9(5-7-10)15(19)25/h1-7,13,24H,8H2,(H2,19,25)/t13-/m0/s1
InChIKeyNAECXAOIJNGIEO-ZDUSSCGKSA-N
XLogP1.45
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 99704636
4-[2-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 30749496
4-[2-[(2S)-3-[benzyl(methyl)amino]-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 52503296
4-[2-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 56684959
4-[2-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 24654123
4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 42942047
4-[2-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 30661571
methyl 4-[2-(2,2-difluoroethyl)tetrazol-5-yl]benzoate
CID 71999533
4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide
CID 8996445
4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
CID 8996563
4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 7491286
2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 110908038

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide?
The IUPAC name of 4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide (CID 94386508) is 4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide is NC(=O)c1ccc(-c2nnn(C[C@H](O)c3c(F)cccc3F)n2)cc1.
What is the InChIKey of 4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide?
The InChIKey is NAECXAOIJNGIEO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H13F2N5O2/c17-11-2-1-3-12(18)14(11)13(24)8-23-21-16(20-22-23)10-6-4-9(5-7-10)15(19)25/h1-7,13,24H,8H2,(H2,19,25)/t13-/m0/s1.
What are the key properties of 4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide?
4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide has a molecular weight of 345.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 94386508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).