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

C20H22FN5O3 — CID 8509816

IUPAC2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H22FN5O3/c1-4-25(12-14-6-5-7-16(21)10-14)19(27)13-26-23-20(22-24-26)15-8-9-17(28-2)18(11-15)29-3/h5-11H,4,12-13H2,1-3H3
InChIKeyQUCWYPVTJYNXMJ-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.55
Rot. Bonds8

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

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 8509816) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID8509816
Molecular FormulaC20H22FN5O3
Molecular Weight399.43 g/mol
Exact Mass399.17
IUPAC Name2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCN(Cc1cccc(F)c1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H22FN5O3/c1-4-25(12-14-6-5-7-16(21)10-14)19(27)13-26-23-20(22-24-26)15-8-9-17(28-2)18(11-15)29-3/h5-11H,4,12-13H2,1-3H3
InChIKeyQUCWYPVTJYNXMJ-UHFFFAOYSA-N
XLogP2.55
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7887102
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 7713318
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-N-(3-fluorophenyl)acetamide
CID 19798541
N-benzyl-N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 23960420
(2S)-N-cyclopentyl-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 40631846
2-[5-(4-fluoro-3-methoxyphenyl)tetrazol-2-yl]-N-(4-fluorophenyl)-N-methylacetamide
CID 177372549
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 47011435
(2R)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)butanamide
CID 40645572
2-[benzyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
CID 3179898
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]acetate
CID 7353447
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9487996
(2R)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)propanamide
CID 40586380

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (CID 8509816) is 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is CCN(Cc1cccc(F)c1)C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is QUCWYPVTJYNXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c1-4-25(12-14-6-5-7-16(21)10-14)19(27)13-26-23-20(22-24-26)15-8-9-17(28-2)18(11-15)29-3/h5-11H,4,12-13H2,1-3H3.
What are the key properties of 2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 399.43 g/mol, XLogP of 2.55, 8 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-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 8509816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).