N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide

C17H15F2N5O — CID 31350990

IUPACN-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide
SMILESC[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H15F2N5O/c1-10(13-7-8-14(18)15(19)9-13)24(2)17(25)12-5-3-11(4-6-12)16-20-22-23-21-16/h3-10H,1-2H3,(H,20,21,22,23)/t10-/m1/s1
InChIKeyFRBUCDQCFXAQIQ-SNVBAGLBSA-N
MW343.34 g/mol
LogP2.98
Rot. Bonds4

About N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 31350990) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide
PubChem CID31350990
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide
SMILESC[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C17H15F2N5O/c1-10(13-7-8-14(18)15(19)9-13)24(2)17(25)12-5-3-11(4-6-12)16-20-22-23-21-16/h3-10H,1-2H3,(H,20,21,22,23)/t10-/m1/s1
InChIKeyFRBUCDQCFXAQIQ-SNVBAGLBSA-N
XLogP2.98
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide (CID 31350990) is N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide is C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is FRBUCDQCFXAQIQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-10(13-7-8-14(18)15(19)9-13)24(2)17(25)12-5-3-11(4-6-12)16-20-22-23-21-16/h3-10H,1-2H3,(H,20,21,22,23)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide?
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 343.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 31350990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).