N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C18H18FN5O3 — CID 7995467

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C18H18FN5O3/c1-26-15-8-3-12(9-16(15)27-2)10-20-17(25)11-24-22-18(21-23-24)13-4-6-14(19)7-5-13/h3-9H,10-11H2,1-2H3,(H,20,25)
InChIKeyOIGBULAXRGCNKH-UHFFFAOYSA-N
MW371.37 g/mol
LogP1.81
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 7995467) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID7995467
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C18H18FN5O3/c1-26-15-8-3-12(9-16(15)27-2)10-20-17(25)11-24-22-18(21-23-24)13-4-6-14(19)7-5-13/h3-9H,10-11H2,1-2H3,(H,20,25)
InChIKeyOIGBULAXRGCNKH-UHFFFAOYSA-N
XLogP1.81
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 90652899
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 18777968
N-(2,4-difluorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1080294
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7887102
2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 46829156
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 3993067
1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine
CID 17394198
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
1-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 7489523
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9082707
N-[(2-methoxyphenyl)methyl]-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 644968

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 7995467) is N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is COc1ccc(CNC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is OIGBULAXRGCNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-26-15-8-3-12(9-16(15)27-2)10-20-17(25)11-24-22-18(21-23-24)13-4-6-14(19)7-5-13/h3-9H,10-11H2,1-2H3,(H,20,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 371.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7995467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).