(2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide

C18H18FN5O — CID 27620534

IUPAC(2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1nnnn1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H18FN5O/c1-2-16(13-6-4-3-5-7-13)18(25)20-12-17-21-22-23-24(17)15-10-8-14(19)9-11-15/h3-11,16H,2,12H2,1H3,(H,20,25)
InChIKeyLVQRMFBSPSVQDM-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.61
Rot. Bonds6

About (2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide

(2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide (PubChem CID 27620534) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is (2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide
PubChem CID27620534
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name(2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1nnnn1-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H18FN5O/c1-2-16(13-6-4-3-5-7-13)18(25)20-12-17-21-22-23-24(17)15-10-8-14(19)9-11-15/h3-11,16H,2,12H2,1H3,(H,20,25)
InChIKeyLVQRMFBSPSVQDM-UHFFFAOYSA-N
XLogP2.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide (CID 27620534) is (2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide is CCC(C(=O)NCc1nnnn1-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide?
The InChIKey is LVQRMFBSPSVQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-2-16(13-6-4-3-5-7-13)18(25)20-12-17-21-22-23-24(17)15-10-8-14(19)9-11-15/h3-11,16H,2,12H2,1H3,(H,20,25).
What are the key properties of (2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide?
(2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide has a molecular weight of 339.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-phenylbutanamide is sourced from PubChem (CID 27620534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).