3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide

C19H20FN5O2 — CID 78879461

IUPAC3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
SMILESCc1nnnn1C(Cc1cccc(F)c1)C(=O)NC1CCCc2occc21
InChIInChI=1S/C19H20FN5O2/c1-12-22-23-24-25(12)17(11-13-4-2-5-14(20)10-13)19(26)21-16-6-3-7-18-15(16)8-9-27-18/h2,4-5,8-10,16-17H,3,6-7,11H2,1H3,(H,21,26)
InChIKeyTYRREPRGKSQKKZ-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.69
Rot. Bonds5

About 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide

3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide (PubChem CID 78879461) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
PubChem CID78879461
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
SMILESCc1nnnn1C(Cc1cccc(F)c1)C(=O)NC1CCCc2occc21
InChIInChI=1S/C19H20FN5O2/c1-12-22-23-24-25(12)17(11-13-4-2-5-14(20)10-13)19(26)21-16-6-3-7-18-15(16)8-9-27-18/h2,4-5,8-10,16-17H,3,6-7,11H2,1H3,(H,21,26)
InChIKeyTYRREPRGKSQKKZ-UHFFFAOYSA-N
XLogP2.69
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119602128
3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide
CID 120575920
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 51082128
3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid
CID 119237695
3-(3-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119561159
4-[2-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]ethyl]benzoic acid
CID 119168903
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide
CID 112828978
1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119166807
1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119374164
3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 86923832
(2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 97075096
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 166416460

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide (CID 78879461) is 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide is Cc1nnnn1C(Cc1cccc(F)c1)C(=O)NC1CCCc2occc21.
What is the InChIKey of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
The InChIKey is TYRREPRGKSQKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-12-22-23-24-25(12)17(11-13-4-2-5-14(20)10-13)19(26)21-16-6-3-7-18-15(16)8-9-27-18/h2,4-5,8-10,16-17H,3,6-7,11H2,1H3,(H,21,26).
What are the key properties of 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide?
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide has a molecular weight of 369.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide is sourced from PubChem (CID 78879461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).