N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide

C11H11F2N5O2 — CID 103770342

IUPACN-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NCC(O)C(F)F)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C11H11F2N5O2/c12-9(13)8(19)5-14-11(20)7-3-1-6(2-4-7)10-15-17-18-16-10/h1-4,8-9,19H,5H2,(H,14,20)(H,15,16,17,18)
InChIKeyACDODTAGTHAQDS-UHFFFAOYSA-N
MW283.24 g/mol
LogP0.22
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide

N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 103770342) has the molecular formula C11H11F2N5O2 and a molecular weight of 283.24 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide
PubChem CID103770342
Molecular FormulaC11H11F2N5O2
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NCC(O)C(F)F)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C11H11F2N5O2/c12-9(13)8(19)5-14-11(20)7-3-1-6(2-4-7)10-15-17-18-16-10/h1-4,8-9,19H,5H2,(H,14,20)(H,15,16,17,18)
InChIKeyACDODTAGTHAQDS-UHFFFAOYSA-N
XLogP0.22
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2H-tetrazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 127041189
N-(2,2,3,3,4,4,4-Heptafluorobutyl)-4-[(2H-tetrazol-5-yl)methyl]benzamide
CID 44384935
4-[2-(1H-tetrazol-5-yl)benzoyl]-2-(trifluoromethyl)morpholine
CID 56871201
[4-(difluoromethyl)-3-fluorophenyl]-[(2S)-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 164642613
4-[2-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]tetrazol-5-yl]benzamide
CID 8262586
4-(2H-tetrazol-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17522595
N-[2-(3-fluorophenyl)ethyl]-4-(2H-tetrazol-5-yl)benzamide
CID 31738304
N-[(4-fluorophenyl)methyl]-4-(2H-tetrazol-5-yl)benzamide
CID 32745964
N-[(3-fluoro-4-methylphenyl)methyl]-4-(2H-tetrazol-5-yl)benzamide
CID 34486843
N-[2-[4-(5-phenyltetrazol-2-yl)butanoylamino]ethyl]-4-(trifluoromethyl)benzamide
CID 56259029
N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 56822019
N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 60930417

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide (CID 103770342) is N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide is O=C(NCC(O)C(F)F)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is ACDODTAGTHAQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O2/c12-9(13)8(19)5-14-11(20)7-3-1-6(2-4-7)10-15-17-18-16-10/h1-4,8-9,19H,5H2,(H,14,20)(H,15,16,17,18).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide?
N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 283.24 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 103770342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).