N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide

C12H13F2N5O2 — CID 107482851

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(c1cccc(-c2nn[nH]n2)c1)N(CCO)CC(F)F
InChIInChI=1S/C12H13F2N5O2/c13-10(14)7-19(4-5-20)12(21)9-3-1-2-8(6-9)11-15-17-18-16-11/h1-3,6,10,20H,4-5,7H2,(H,15,16,17,18)
InChIKeyWAMWSKXIOYWBLJ-UHFFFAOYSA-N
MW297.26 g/mol
LogP0.57
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide (PubChem CID 107482851) has the molecular formula C12H13F2N5O2 and a molecular weight of 297.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
PubChem CID107482851
Molecular FormulaC12H13F2N5O2
Molecular Weight297.26 g/mol
Exact Mass297.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(c1cccc(-c2nn[nH]n2)c1)N(CCO)CC(F)F
InChIInChI=1S/C12H13F2N5O2/c13-10(14)7-19(4-5-20)12(21)9-3-1-2-8(6-9)11-15-17-18-16-11/h1-3,6,10,20H,4-5,7H2,(H,15,16,17,18)
InChIKeyWAMWSKXIOYWBLJ-UHFFFAOYSA-N
XLogP0.57
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2,3,3,4,4,4-Heptafluorobutyl)-3-[(2H-tetrazol-5-yl)methyl]benzamide
CID 44385158
4-[2-(1H-tetrazol-5-yl)benzoyl]-2-(trifluoromethyl)morpholine
CID 56871201
N-(2H-tetrazol-5-ylmethyl)-3-(trifluoromethyl)benzamide
CID 61855550
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 61868509
2-fluoro-5-(4-hydroxybut-1-ynyl)-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 61868912
N-[(3-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)benzamide
CID 70677388
3-(2H-tetrazol-5-yl)-N-(2,2,2-trifluoroethoxy)benzamide
CID 82722343
2-fluoro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-3-(trifluoromethyl)benzamide
CID 91649114
3-fluoro-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]-5-(trifluoromethyl)benzamide
CID 91661110
N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-3-(trifluoromethyl)benzamide
CID 91760404
[2-(2H-tetrazol-5-yl)phenyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95551264
[2-(2H-tetrazol-5-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95551265

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide (CID 107482851) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide is O=C(c1cccc(-c2nn[nH]n2)c1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is WAMWSKXIOYWBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5O2/c13-10(14)7-19(4-5-20)12(21)9-3-1-2-8(6-9)11-15-17-18-16-11/h1-3,6,10,20H,4-5,7H2,(H,15,16,17,18).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide has a molecular weight of 297.26 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 107482851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).