2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide

C13H15F2N5O — CID 71920443

IUPAC2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
SMILESCCCC(NC(=O)c1cc(C)c(F)cc1F)c1nn[nH]n1
InChIInChI=1S/C13H15F2N5O/c1-3-4-11(12-17-19-20-18-12)16-13(21)8-5-7(2)9(14)6-10(8)15/h5-6,11H,3-4H2,1-2H3,(H,16,21)(H,17,18,19,20)
InChIKeyFGWTWGGLHOSFJV-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.06
Rot. Bonds5

About 2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide

2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide (PubChem CID 71920443) has the molecular formula C13H15F2N5O and a molecular weight of 295.29 g/mol. Its IUPAC name is 2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
PubChem CID71920443
Molecular FormulaC13H15F2N5O
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
SMILESCCCC(NC(=O)c1cc(C)c(F)cc1F)c1nn[nH]n1
InChIInChI=1S/C13H15F2N5O/c1-3-4-11(12-17-19-20-18-12)16-13(21)8-5-7(2)9(14)6-10(8)15/h5-6,11H,3-4H2,1-2H3,(H,16,21)(H,17,18,19,20)
InChIKeyFGWTWGGLHOSFJV-UHFFFAOYSA-N
XLogP2.06
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N-(2-(4-fluorophenyl)-1-(1H-tetrazol-5-yl)ethyl)-2-naphthamide
CID 46884184
(R)-N-(1-(1H-tetrazol-5-yl)-2-(4-(trifluoromethyl)phenyl)ethyl)-2-naphthamide
CID 46884185
N-[(1R)-2-(3-fluorophenyl)-1-(2H-tetrazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 73349088
N-[(1S)-4-[(1-amino-2-fluoroethylidene)amino]-1-(2-tert-butyltetrazol-5-yl)butyl]-4-phenylbenzamide
CID 118732058
N-[(2-dodecyltetrazol-5-yl)-phenylmethyl]-2,4-difluorobenzamide
CID 44330866
N-[(2-dodecyltetrazol-5-yl)-phenylmethyl]-4-(trifluoromethyl)benzamide
CID 44331103
N-[(2-dodecyltetrazol-5-yl)-phenylmethyl]benzamide
CID 44331219
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
3-(3,5-dimethylphenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 50948741
2,4-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
CID 71859951
2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide
CID 71920440

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide?
The IUPAC name of 2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide (CID 71920443) is 2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide.
What is the SMILES notation for 2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide?
The canonical SMILES for 2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide is CCCC(NC(=O)c1cc(C)c(F)cc1F)c1nn[nH]n1.
What is the InChIKey of 2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide?
The InChIKey is FGWTWGGLHOSFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N5O/c1-3-4-11(12-17-19-20-18-12)16-13(21)8-5-7(2)9(14)6-10(8)15/h5-6,11H,3-4H2,1-2H3,(H,16,21)(H,17,18,19,20).
What are the key properties of 2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide?
2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide has a molecular weight of 295.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-methyl-N-[1-(2H-tetrazol-5-yl)butyl]benzamide is sourced from PubChem (CID 71920443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).