3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide

C21H23FN6O2 — CID 76643056

IUPAC3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
SMILESCC(CN1CCOCC1)NC(=O)c1cc(-c2ccccc2F)cc(-n2cnnn2)c1
InChIInChI=1S/C21H23FN6O2/c1-15(13-27-6-8-30-9-7-27)24-21(29)17-10-16(19-4-2-3-5-20(19)22)11-18(12-17)28-14-23-25-26-28/h2-5,10-12,14-15H,6-9,13H2,1H3,(H,24,29)
InChIKeyCJPGHOWPPCKENI-UHFFFAOYSA-N
MW410.45 g/mol
LogP1.92
Rot. Bonds6

About 3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide

3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide (PubChem CID 76643056) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
PubChem CID76643056
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
SMILESCC(CN1CCOCC1)NC(=O)c1cc(-c2ccccc2F)cc(-n2cnnn2)c1
InChIInChI=1S/C21H23FN6O2/c1-15(13-27-6-8-30-9-7-27)24-21(29)17-10-16(19-4-2-3-5-20(19)22)11-18(12-17)28-14-23-25-26-28/h2-5,10-12,14-15H,6-9,13H2,1H3,(H,24,29)
InChIKeyCJPGHOWPPCKENI-UHFFFAOYSA-N
XLogP1.92
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methyl-2-oxo-1-pyridinyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 69004303
3-(4-methylphenyl)-N-[(2S)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 44599894
3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 76643050
3-(5-tert-butyltetrazol-1-yl)-5-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 76643046
3-(2-chloro-4-methylphenyl)-N-[1-(3-fluoropiperidin-1-yl)propan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 76643026
3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(5-propyltetrazol-1-yl)benzamide
CID 76643078
N-(1-methoxypropan-2-yl)-3-(4-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 24889642
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
3-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499952
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
3-(4-methylphenyl)-N-(3-oxopentan-2-yl)-5-(tetrazol-1-yl)benzamide
CID 129154966

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide (CID 76643056) is 3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide is CC(CN1CCOCC1)NC(=O)c1cc(-c2ccccc2F)cc(-n2cnnn2)c1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is CJPGHOWPPCKENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-15(13-27-6-8-30-9-7-27)24-21(29)17-10-16(19-4-2-3-5-20(19)22)11-18(12-17)28-14-23-25-26-28/h2-5,10-12,14-15H,6-9,13H2,1H3,(H,24,29).
What are the key properties of 3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide?
3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 410.45 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 76643056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).