2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

C19H19FN6O3 — CID 18273197

IUPAC2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)Cn2nnc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C19H19FN6O3/c1-25(11-17(27)21-15-7-4-8-16(10-15)29-2)18(28)12-26-23-19(22-24-26)13-5-3-6-14(20)9-13/h3-10H,11-12H2,1-2H3,(H,21,27)
InChIKeyMMUVWIYULJMEGK-UHFFFAOYSA-N
MW398.40 g/mol
LogP1.58
Rot. Bonds7

About 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 18273197) has the molecular formula C19H19FN6O3 and a molecular weight of 398.40 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID18273197
Molecular FormulaC19H19FN6O3
Molecular Weight398.40 g/mol
Exact Mass398.15
IUPAC Name2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)Cn2nnc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C19H19FN6O3/c1-25(11-17(27)21-15-7-4-8-16(10-15)29-2)18(28)12-26-23-19(22-24-26)13-5-3-6-14(20)9-13/h3-10H,11-12H2,1-2H3,(H,21,27)
InChIKeyMMUVWIYULJMEGK-UHFFFAOYSA-N
XLogP1.58
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 55322701
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 7713318
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 26676812
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1373528
N-(2,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7490967
3-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1-[(3-methoxyphenyl)carbamoyl]azetidine-3-carboxylic acid
CID 59526732
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-N-(3-fluorophenyl)acetamide
CID 19798541
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 8023934
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7489729
4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 7491286
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methyl-N-phenylacetamide
CID 26676736
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetamide
CID 3184375

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (CID 18273197) is 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is COc1cccc(NC(=O)CN(C)C(=O)Cn2nnc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is MMUVWIYULJMEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O3/c1-25(11-17(27)21-15-7-4-8-16(10-15)29-2)18(28)12-26-23-19(22-24-26)13-5-3-6-14(20)9-13/h3-10H,11-12H2,1-2H3,(H,21,27).
What are the key properties of 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 398.40 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 18273197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).