5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide

C17H14ClF2N5O3 — CID 49336468

IUPAC5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C17H14ClF2N5O3/c1-27-15-7-14(25-9-22-23-24-25)13(18)6-12(15)16(26)21-8-10-3-2-4-11(5-10)28-17(19)20/h2-7,9,17H,8H2,1H3,(H,21,26)
InChIKeyQOVFGALQAZVWGM-UHFFFAOYSA-N
MW409.78 g/mol
LogP2.86
Rot. Bonds7

About 5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide

5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide (PubChem CID 49336468) has the molecular formula C17H14ClF2N5O3 and a molecular weight of 409.78 g/mol. Its IUPAC name is 5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
PubChem CID49336468
Molecular FormulaC17H14ClF2N5O3
Molecular Weight409.78 g/mol
Exact Mass409.08
IUPAC Name5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C17H14ClF2N5O3/c1-27-15-7-14(25-9-22-23-24-25)13(18)6-12(15)16(26)21-8-10-3-2-4-11(5-10)28-17(19)20/h2-7,9,17H,8H2,1H3,(H,21,26)
InChIKeyQOVFGALQAZVWGM-UHFFFAOYSA-N
XLogP2.86
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.78
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide (CID 49336468) is 5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NCc1cccc(OC(F)F)c1.
What is the InChIKey of 5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The InChIKey is QOVFGALQAZVWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N5O3/c1-27-15-7-14(25-9-22-23-24-25)13(18)6-12(15)16(26)21-8-10-3-2-4-11(5-10)28-17(19)20/h2-7,9,17H,8H2,1H3,(H,21,26).
What are the key properties of 5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide has a molecular weight of 409.78 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 49336468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).