N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide

C20H21FN6O3 — CID 46979968

IUPACN-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1cccc(-c2nnn(CC(=O)Nc3cc(F)ccc3N3CCOCC3)n2)c1
InChIInChI=1S/C20H21FN6O3/c1-29-16-4-2-3-14(11-16)20-23-25-27(24-20)13-19(28)22-17-12-15(21)5-6-18(17)26-7-9-30-10-8-26/h2-6,11-12H,7-10,13H2,1H3,(H,22,28)
InChIKeyCBAYZWWLZRXICC-UHFFFAOYSA-N
MW412.43 g/mol
LogP1.96
Rot. Bonds6

About N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide

N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 46979968) has the molecular formula C20H21FN6O3 and a molecular weight of 412.43 g/mol. Its IUPAC name is N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID46979968
Molecular FormulaC20H21FN6O3
Molecular Weight412.43 g/mol
Exact Mass412.17
IUPAC NameN-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
SMILESCOc1cccc(-c2nnn(CC(=O)Nc3cc(F)ccc3N3CCOCC3)n2)c1
InChIInChI=1S/C20H21FN6O3/c1-29-16-4-2-3-14(11-16)20-23-25-27(24-20)13-19(28)22-17-12-15(21)5-6-18(17)26-7-9-30-10-8-26/h2-6,11-12H,7-10,13H2,1H3,(H,22,28)
InChIKeyCBAYZWWLZRXICC-UHFFFAOYSA-N
XLogP1.96
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16517343
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 113092691
N-(2,4-difluorophenyl)-2-[4-(3-methoxyphenyl)-3-morpholin-4-ylpyrazol-1-yl]acetamide
CID 171146388
N-(2,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7490967
N-(2,4-difluorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1080294
N-(5-fluoro-2-methylphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 18171626
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 51883487
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 36657784
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 84603667
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 26676812
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone
CID 17494005
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 113092695

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide (CID 46979968) is N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide is COc1cccc(-c2nnn(CC(=O)Nc3cc(F)ccc3N3CCOCC3)n2)c1.
What is the InChIKey of N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is CBAYZWWLZRXICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O3/c1-29-16-4-2-3-14(11-16)20-23-25-27(24-20)13-19(28)22-17-12-15(21)5-6-18(17)26-7-9-30-10-8-26/h2-6,11-12H,7-10,13H2,1H3,(H,22,28).
What are the key properties of N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide?
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 412.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-morpholin-4-ylphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 46979968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).