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

C11H11F2N5O2 — CID 106168731

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NCC(F)(F)CO)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H11F2N5O2/c12-11(13,6-19)5-14-10(20)8-3-1-2-7(4-8)9-15-17-18-16-9/h1-4,19H,5-6H2,(H,14,20)(H,15,16,17,18)
InChIKeyUGFRLWOGBLFMNF-UHFFFAOYSA-N
MW283.24 g/mol
LogP0.22
Rot. Bonds5

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

N-(2,2-difluoro-3-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide (PubChem CID 106168731) has the molecular formula C11H11F2N5O2 and a molecular weight of 283.24 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide
PubChem CID106168731
Molecular FormulaC11H11F2N5O2
Molecular Weight283.24 g/mol
Exact Mass283.09
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NCC(F)(F)CO)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H11F2N5O2/c12-11(13,6-19)5-14-10(20)8-3-1-2-7(4-8)9-15-17-18-16-9/h1-4,19H,5-6H2,(H,14,20)(H,15,16,17,18)
InChIKeyUGFRLWOGBLFMNF-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

N-(2,2,3,3,4,4,4-Heptafluorobutyl)-4-[(2H-tetrazol-5-yl)methyl]benzamide
CID 44384935
N-(2,2,3,3,4,4,4-Heptafluorobutyl)-3-[(2H-tetrazol-5-yl)methyl]benzamide
CID 44385158
4-(2H-tetrazol-5-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17522595
N-[(4-fluorophenyl)methyl]-4-(2H-tetrazol-5-yl)benzamide
CID 32745964
N-[(4-fluoro-3-methylphenyl)methyl]-4-(2H-tetrazol-5-yl)benzamide
CID 33305428
N-[(3-fluoro-4-methylphenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide
CID 40076986
2-fluoro-5-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 55083314
N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 60912536
4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 61853090
N-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)benzamide
CID 61854250
N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)benzamide
CID 61855550
4-fluoro-N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)benzamide
CID 61856150

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide (CID 106168731) is N-(2,2-difluoro-3-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide is O=C(NCC(F)(F)CO)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is UGFRLWOGBLFMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N5O2/c12-11(13,6-19)5-14-10(20)8-3-1-2-7(4-8)9-15-17-18-16-9/h1-4,19H,5-6H2,(H,14,20)(H,15,16,17,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-(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-(2,2-difluoro-3-hydroxypropyl)-3-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 106168731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).