N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide

C12H13F2N5O2 — CID 107482934

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(c1ccc(-c2nn[nH]n2)cc1)N(CCO)CC(F)F
InChIInChI=1S/C12H13F2N5O2/c13-10(14)7-19(5-6-20)12(21)9-3-1-8(2-4-9)11-15-17-18-16-11/h1-4,10,20H,5-7H2,(H,15,16,17,18)
InChIKeyPTKOIRILNZOBRJ-UHFFFAOYSA-N
MW297.27 g/mol
LogP0.57
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 107482934) has the molecular formula C12H13F2N5O2 and a molecular weight of 297.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide
PubChem CID107482934
Molecular FormulaC12H13F2N5O2
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(c1ccc(-c2nn[nH]n2)cc1)N(CCO)CC(F)F
InChIInChI=1S/C12H13F2N5O2/c13-10(14)7-19(5-6-20)12(21)9-3-1-8(2-4-9)11-15-17-18-16-11/h1-4,10,20H,5-7H2,(H,15,16,17,18)
InChIKeyPTKOIRILNZOBRJ-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 ≤ 500297.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)pyrrolidin-1-yl]methanone
CID 164632294
[4-(difluoromethyl)-3-fluorophenyl]-[(2S)-2-(2H-tetrazol-5-yl)morpholin-4-yl]methanone
CID 164642613
N-[(2-fluorophenyl)methyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 17529932
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 31350990
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 31350993
N-[2-(3-fluorophenyl)ethyl]-4-(2H-tetrazol-5-yl)benzamide
CID 31738304
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-(2H-tetrazol-5-yl)benzamide
CID 31748669
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

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide (CID 107482934) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide is O=C(c1ccc(-c2nn[nH]n2)cc1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is PTKOIRILNZOBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N5O2/c13-10(14)7-19(5-6-20)12(21)9-3-1-8(2-4-9)11-15-17-18-16-11/h1-4,10,20H,5-7H2,(H,15,16,17,18).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 297.27 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)-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 107482934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).