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

C20H21FN6O3 — CID 55785267

IUPACN-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
SMILESCOc1cc(NC(=O)C(Cc2ccc(F)cc2)n2nnnc2C)ccc1NC(C)=O
InChIInChI=1S/C20H21FN6O3/c1-12-24-25-26-27(12)18(10-14-4-6-15(21)7-5-14)20(29)23-16-8-9-17(22-13(2)28)19(11-16)30-3/h4-9,11,18H,10H2,1-3H3,(H,22,28)(H,23,29)
InChIKeyCZIHOIAVBOSMIL-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.51
Rot. Bonds7

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

N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide (PubChem CID 55785267) has the molecular formula C20H21FN6O3 and a molecular weight of 412.43 g/mol. Its IUPAC name is N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
PubChem CID55785267
Molecular FormulaC20H21FN6O3
Molecular Weight412.43 g/mol
Exact Mass412.17
IUPAC NameN-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
SMILESCOc1cc(NC(=O)C(Cc2ccc(F)cc2)n2nnnc2C)ccc1NC(C)=O
InChIInChI=1S/C20H21FN6O3/c1-12-24-25-26-27(12)18(10-14-4-6-15(21)7-5-14)20(29)23-16-8-9-17(22-13(2)28)19(11-16)30-3/h4-9,11,18H,10H2,1-3H3,(H,22,28)(H,23,29)
InChIKeyCZIHOIAVBOSMIL-UHFFFAOYSA-N
XLogP2.51
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride
CID 119500200
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide
CID 112828978
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386064
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 55878063
N-(4-acetamido-3-methoxyphenyl)-2-methoxypropanamide
CID 47308212
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 86994053
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 78880480
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 47039371
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 86970770
2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244757
N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 87019112
1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide (CID 55785267) is N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide is COc1cc(NC(=O)C(Cc2ccc(F)cc2)n2nnnc2C)ccc1NC(C)=O.
What is the InChIKey of N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is CZIHOIAVBOSMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O3/c1-12-24-25-26-27(12)18(10-14-4-6-15(21)7-5-14)20(29)23-16-8-9-17(22-13(2)28)19(11-16)30-3/h4-9,11,18H,10H2,1-3H3,(H,22,28)(H,23,29).
What are the key properties of N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide?
N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 412.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methoxyphenyl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 55785267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).