5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide

C21H20ClFN6O3 — CID 55838407

IUPAC5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H20ClFN6O3/c1-32-19-11-18(29-12-24-26-27-29)16(22)10-15(19)20(30)25-13-6-8-28(9-7-13)21(31)14-4-2-3-5-17(14)23/h2-5,10-13H,6-9H2,1H3,(H,25,30)
InChIKeyCHYMXDPLBXJJAE-UHFFFAOYSA-N
MW458.88 g/mol
LogP2.50
Rot. Bonds5

About 5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide

5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide (PubChem CID 55838407) has the molecular formula C21H20ClFN6O3 and a molecular weight of 458.88 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide
PubChem CID55838407
Molecular FormulaC21H20ClFN6O3
Molecular Weight458.88 g/mol
Exact Mass458.13
IUPAC Name5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H20ClFN6O3/c1-32-19-11-18(29-12-24-26-27-29)16(22)10-15(19)20(30)25-13-6-8-28(9-7-13)21(31)14-4-2-3-5-17(14)23/h2-5,10-13H,6-9H2,1H3,(H,25,30)
InChIKeyCHYMXDPLBXJJAE-UHFFFAOYSA-N
XLogP2.50
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.88
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide (CID 55838407) is 5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide is COc1cc(-n2cnnn2)c(Cl)cc1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The InChIKey is CHYMXDPLBXJJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN6O3/c1-32-19-11-18(29-12-24-26-27-29)16(22)10-15(19)20(30)25-13-6-8-28(9-7-13)21(31)14-4-2-3-5-17(14)23/h2-5,10-13H,6-9H2,1H3,(H,25,30).
What are the key properties of 5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide has a molecular weight of 458.88 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-methoxy-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55838407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).