N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide

C17H15F2N5O — CID 7216968

IUPACN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C17H15F2N5O/c1-10-3-5-13(7-11(10)2)24-16(21-22-23-24)9-20-17(25)12-4-6-14(18)15(19)8-12/h3-8H,9H2,1-2H3,(H,20,25)
InChIKeyKZMLTDHRPJRNNI-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.49
Rot. Bonds4

About N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide

N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide (PubChem CID 7216968) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide
PubChem CID7216968
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C17H15F2N5O/c1-10-3-5-13(7-11(10)2)24-16(21-22-23-24)9-20-17(25)12-4-6-14(18)15(19)8-12/h3-8H,9H2,1-2H3,(H,20,25)
InChIKeyKZMLTDHRPJRNNI-UHFFFAOYSA-N
XLogP2.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide (CID 7216968) is N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide is Cc1ccc(-n2nnnc2CNC(=O)c2ccc(F)c(F)c2)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide?
The InChIKey is KZMLTDHRPJRNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-10-3-5-13(7-11(10)2)24-16(21-22-23-24)9-20-17(25)12-4-6-14(18)15(19)8-12/h3-8H,9H2,1-2H3,(H,20,25).
What are the key properties of N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide?
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide has a molecular weight of 343.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3,4-difluorobenzamide is sourced from PubChem (CID 7216968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).