(2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide

C21H24FN5O2 — CID 97075096

IUPAC(2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@H](CCCO)c1ccccc1
InChIInChI=1S/C21H24FN5O2/c1-15-24-25-26-27(15)20(14-16-7-5-10-18(22)13-16)21(29)23-19(11-6-12-28)17-8-3-2-4-9-17/h2-5,7-10,13,19-20,28H,6,11-12,14H2,1H3,(H,23,29)/t19-,20-/m1/s1
InChIKeyVDXAPIYOQQVROA-WOJBJXKFSA-N
MW397.45 g/mol
LogP2.53
Rot. Bonds9

About (2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide

(2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide (PubChem CID 97075096) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is (2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide
PubChem CID97075096
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name(2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@H](CCCO)c1ccccc1
InChIInChI=1S/C21H24FN5O2/c1-15-24-25-26-27(15)20(14-16-7-5-10-18(22)13-16)21(29)23-19(11-6-12-28)17-8-3-2-4-9-17/h2-5,7-10,13,19-20,28H,6,11-12,14H2,1H3,(H,23,29)/t19-,20-/m1/s1
InChIKeyVDXAPIYOQQVROA-WOJBJXKFSA-N
XLogP2.53
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of (2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide (CID 97075096) is (2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for (2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for (2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide is Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N[C@H](CCCO)c1ccccc1.
What is the InChIKey of (2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is VDXAPIYOQQVROA-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-15-24-25-26-27(15)20(14-16-7-5-10-18(22)13-16)21(29)23-19(11-6-12-28)17-8-3-2-4-9-17/h2-5,7-10,13,19-20,28H,6,11-12,14H2,1H3,(H,23,29)/t19-,20-/m1/s1.
What are the key properties of (2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide?
(2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 397.45 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-fluorophenyl)-N-[(1R)-4-hydroxy-1-phenylbutyl]-2-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 97075096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).