4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide

C18H16FN5O2 — CID 26124801

IUPAC4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide
SMILESCn1nnnc1-c1cccc(NC(=O)CCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H16FN5O2/c1-24-18(21-22-23-24)13-3-2-4-15(11-13)20-17(26)10-9-16(25)12-5-7-14(19)8-6-12/h2-8,11H,9-10H2,1H3,(H,20,26)
InChIKeyDFHDAHATBOMWON-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.62
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide

4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide (PubChem CID 26124801) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide
PubChem CID26124801
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide
SMILESCn1nnnc1-c1cccc(NC(=O)CCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C18H16FN5O2/c1-24-18(21-22-23-24)13-3-2-4-15(11-13)20-17(26)10-9-16(25)12-5-7-14(19)8-6-12/h2-8,11H,9-10H2,1H3,(H,20,26)
InChIKeyDFHDAHATBOMWON-UHFFFAOYSA-N
XLogP2.62
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 154802009
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 26124808
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 41293386
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
CID 30414133
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686823
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108795529
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
2-(2,4-dioxopyrimidin-1-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26124104

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide (CID 26124801) is 4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide is Cn1nnnc1-c1cccc(NC(=O)CCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide?
The InChIKey is DFHDAHATBOMWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-24-18(21-22-23-24)13-3-2-4-15(11-13)20-17(26)10-9-16(25)12-5-7-14(19)8-6-12/h2-8,11H,9-10H2,1H3,(H,20,26).
What are the key properties of 4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide?
4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide has a molecular weight of 353.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 26124801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).