3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide

C16H19F2N5O — CID 27545894

IUPAC3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide
SMILESO=C(CCC1CCCC1)NCc1nnnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C16H19F2N5O/c17-13-7-6-12(9-14(13)18)23-15(20-21-22-23)10-19-16(24)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,19,24)
InChIKeyZAJJSXHBLKDSQR-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.53
Rot. Bonds6

About 3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide

3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide (PubChem CID 27545894) has the molecular formula C16H19F2N5O and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide
PubChem CID27545894
Molecular FormulaC16H19F2N5O
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide
SMILESO=C(CCC1CCCC1)NCc1nnnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C16H19F2N5O/c17-13-7-6-12(9-14(13)18)23-15(20-21-22-23)10-19-16(24)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,19,24)
InChIKeyZAJJSXHBLKDSQR-UHFFFAOYSA-N
XLogP2.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide (CID 27545894) is 3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide is O=C(CCC1CCCC1)NCc1nnnn1-c1ccc(F)c(F)c1.
What is the InChIKey of 3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide?
The InChIKey is ZAJJSXHBLKDSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O/c17-13-7-6-12(9-14(13)18)23-15(20-21-22-23)10-19-16(24)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,19,24).
What are the key properties of 3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide?
3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide has a molecular weight of 335.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]propanamide is sourced from PubChem (CID 27545894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).