3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide

C20H22FN5O — CID 112828978

IUPAC3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide
SMILESCCCc1ccc(NC(=O)C(Cc2cccc(F)c2)n2nnnc2C)cc1
InChIInChI=1S/C20H22FN5O/c1-3-5-15-8-10-18(11-9-15)22-20(27)19(26-14(2)23-24-25-26)13-16-6-4-7-17(21)12-16/h4,6-12,19H,3,5,13H2,1-2H3,(H,22,27)
InChIKeyJCTQZCICGBICNJ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.50
Rot. Bonds7

About 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide

3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide (PubChem CID 112828978) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide
PubChem CID112828978
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide
SMILESCCCc1ccc(NC(=O)C(Cc2cccc(F)c2)n2nnnc2C)cc1
InChIInChI=1S/C20H22FN5O/c1-3-5-15-8-10-18(11-9-15)22-20(27)19(26-14(2)23-24-25-26)13-16-6-4-7-17(21)12-16/h4,6-12,19H,3,5,13H2,1-2H3,(H,22,27)
InChIKeyJCTQZCICGBICNJ-UHFFFAOYSA-N
XLogP3.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]ethyl]benzoic acid
CID 119168903
3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid
CID 119237695
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 166416460
N-ethyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 110893922
(2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 97075096
N-[2-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119602128
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 51082128
3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide
CID 120575920
3-(3-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119561159
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 86970770
N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 55785267
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 112828850

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide (CID 112828978) is 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide is CCCc1ccc(NC(=O)C(Cc2cccc(F)c2)n2nnnc2C)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide?
The InChIKey is JCTQZCICGBICNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-3-5-15-8-10-18(11-9-15)22-20(27)19(26-14(2)23-24-25-26)13-16-6-4-7-17(21)12-16/h4,6-12,19H,3,5,13H2,1-2H3,(H,22,27).
What are the key properties of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide?
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide has a molecular weight of 367.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide is sourced from PubChem (CID 112828978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).