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

C19H20FN5O3 — CID 7887102

IUPAC2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN5O3/c1-4-24(15-8-6-14(20)7-9-15)18(26)12-25-22-19(21-23-25)13-5-10-16(27-2)17(11-13)28-3/h5-11H,4,12H2,1-3H3
InChIKeyWQHVZIGNOOMDCI-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.55
Rot. Bonds7

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

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide (PubChem CID 7887102) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
PubChem CID7887102
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN5O3/c1-4-24(15-8-6-14(20)7-9-15)18(26)12-25-22-19(21-23-25)13-5-10-16(27-2)17(11-13)28-3/h5-11H,4,12H2,1-3H3
InChIKeyWQHVZIGNOOMDCI-UHFFFAOYSA-N
XLogP2.55
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide
CID 177372549
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 8509816
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
(2R)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)butanamide
CID 40645572
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
CID 7353447
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 55382597
(2R)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)propanamide
CID 40586380
1-(3-chloro-4-methoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 7489523
N-(2,4-difluorophenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1080294
(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 40631846
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9487996
N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 3178631

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide (CID 7887102) is 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide is CCN(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide?
The InChIKey is WQHVZIGNOOMDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-4-24(15-8-6-14(20)7-9-15)18(26)12-25-22-19(21-23-25)13-5-10-16(27-2)17(11-13)28-3/h5-11H,4,12H2,1-3H3.
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide?
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide has a molecular weight of 385.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7887102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).