5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide

C20H20ClFN6O3 — CID 55770615

IUPAC5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(Cl)c(-n2cnnn2)cc1OC
InChIInChI=1S/C20H20ClFN6O3/c1-3-27(11-19(29)23-10-13-4-6-14(22)7-5-13)20(30)15-8-16(21)17(9-18(15)31-2)28-12-24-25-26-28/h4-9,12H,3,10-11H2,1-2H3,(H,23,29)
InChIKeyHUPVKTUYKJMQKH-UHFFFAOYSA-N
MW446.87 g/mol
LogP2.24
Rot. Bonds8

About 5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide

5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide (PubChem CID 55770615) has the molecular formula C20H20ClFN6O3 and a molecular weight of 446.87 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
PubChem CID55770615
Molecular FormulaC20H20ClFN6O3
Molecular Weight446.87 g/mol
Exact Mass446.13
IUPAC Name5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(Cl)c(-n2cnnn2)cc1OC
InChIInChI=1S/C20H20ClFN6O3/c1-3-27(11-19(29)23-10-13-4-6-14(22)7-5-13)20(30)15-8-16(21)17(9-18(15)31-2)28-12-24-25-26-28/h4-9,12H,3,10-11H2,1-2H3,(H,23,29)
InChIKeyHUPVKTUYKJMQKH-UHFFFAOYSA-N
XLogP2.24
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide (CID 55770615) is 5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cc(Cl)c(-n2cnnn2)cc1OC.
What is the InChIKey of 5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
The InChIKey is HUPVKTUYKJMQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN6O3/c1-3-27(11-19(29)23-10-13-4-6-14(22)7-5-13)20(30)15-8-16(21)17(9-18(15)31-2)28-12-24-25-26-28/h4-9,12H,3,10-11H2,1-2H3,(H,23,29).
What are the key properties of 5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide?
5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide has a molecular weight of 446.87 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-methoxy-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55770615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).