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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Related Compounds

N-((1-(3-(tetrazol-1-yl)propyl)piperidin-4-yl)methyl)-4-amino-5-chloro-2-methoxybenzamide
CID 54575166
N-((1-(3-(1,2,4-triazol-1-yl)propyl)piperidin-4-yl)methyl)-4-amino-5-chloro-2-methoxybenzamide
CID 66780300
Benzamide, 5-chloro-N-(2-(diethylamino)ethyl)-4-((4,5-dihydro-1H-imidazol-2-yl)amino)-2-methoxy-
CID 3066734
Benzamide, 5-chloro-4-((4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino)-2-methoxy-N-((1-(2-propenyl)-2-pyrrolidinyl)methyl)-
CID 3066760
Benzamide, 5-chloro-N-(2-(diethylamino)ethyl)-4-((4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino)-2-methoxy-
CID 3076803
5-Chloro-2-methoxy-N-[(1-phenyl-1H-1,2,3,4-tetrazol-5-YL)methyl]benzamide
CID 16030229
5-chloro-N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-2-methoxybenzamide
CID 22579859
5-chloro-2-methoxy-N-(2-sulfanylethyl)-4-(tetrazol-1-yl)benzamide
CID 177680230
5-chloro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24249296
(5-chloro-2-methoxyphenyl)(4-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)methanone
CID 30858009
[5-Chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 45830349
5-chloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methyl-4-(tetrazol-1-yl)benzamide
CID 45907763

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).