4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide

C11H10F3N5O2 — CID 99704636

IUPAC4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnn(C[C@@H](O)C(F)(F)F)n2)cc1
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)8(20)5-19-17-10(16-18-19)7-3-1-6(2-4-7)9(15)21/h1-4,8,20H,5H2,(H2,15,21)/t8-/m1/s1
InChIKeyLDVKEQNZMYCBEB-MRVPVSSYSA-N
MW301.23 g/mol
LogP0.36
Rot. Bonds4

About 4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide

4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide (PubChem CID 99704636) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is 4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide
PubChem CID99704636
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Name4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnn(C[C@@H](O)C(F)(F)F)n2)cc1
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)8(20)5-19-17-10(16-18-19)7-3-1-6(2-4-7)9(15)21/h1-4,8,20H,5H2,(H2,15,21)/t8-/m1/s1
InChIKeyLDVKEQNZMYCBEB-MRVPVSSYSA-N
XLogP0.36
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]tetrazol-5-yl]benzamide
CID 94386508
4-[2-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 30661571
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-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 30749496
4-[2-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]tetrazol-5-yl]benzamide
CID 42942047
methyl 4-[2-(2,2-difluoroethyl)tetrazol-5-yl]benzoate
CID 71999533
4-[2-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]tetrazol-5-yl]benzamide
CID 8996563
3-[5-[4-(trifluoromethyl)phenyl]tetrazol-2-yl]propanoic acid
CID 119089174
4-[2-[2-(2,6-dichlorophenoxy)ethyl]tetrazol-5-yl]benzamide
CID 8996445
2-(5-phenyltetrazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 110908038

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The IUPAC name of 4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide (CID 99704636) is 4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide is NC(=O)c1ccc(-c2nnn(C[C@@H](O)C(F)(F)F)n2)cc1.
What is the InChIKey of 4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide?
The InChIKey is LDVKEQNZMYCBEB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c12-11(13,14)8(20)5-19-17-10(16-18-19)7-3-1-6(2-4-7)9(15)21/h1-4,8,20H,5H2,(H2,15,21)/t8-/m1/s1.
What are the key properties of 4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide?
4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide has a molecular weight of 301.23 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 99704636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).