N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide

C14H16F2N6O2 — CID 124564998

IUPACN-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N[C@H]1CCN(c2ccccc2OC(F)F)C1
InChIInChI=1S/C14H16F2N6O2/c15-14(16)24-12-4-2-1-3-11(12)21-6-5-10(7-21)18-13(23)8-22-9-17-19-20-22/h1-4,9-10,14H,5-8H2,(H,18,23)/t10-/m0/s1
InChIKeyNWGNUDMNNXQDKB-JTQLQIEISA-N
MW338.32 g/mol
LogP0.67
Rot. Bonds6

About N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide

N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 124564998) has the molecular formula C14H16F2N6O2 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID124564998
Molecular FormulaC14H16F2N6O2
Molecular Weight338.32 g/mol
Exact Mass338.13
IUPAC NameN-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N[C@H]1CCN(c2ccccc2OC(F)F)C1
InChIInChI=1S/C14H16F2N6O2/c15-14(16)24-12-4-2-1-3-11(12)21-6-5-10(7-21)18-13(23)8-22-9-17-19-20-22/h1-4,9-10,14H,5-8H2,(H,18,23)/t10-/m0/s1
InChIKeyNWGNUDMNNXQDKB-JTQLQIEISA-N
XLogP0.67
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide (CID 124564998) is N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)N[C@H]1CCN(c2ccccc2OC(F)F)C1.
What is the InChIKey of N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is NWGNUDMNNXQDKB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16F2N6O2/c15-14(16)24-12-4-2-1-3-11(12)21-6-5-10(7-21)18-13(23)8-22-9-17-19-20-22/h1-4,9-10,14H,5-8H2,(H,18,23)/t10-/m0/s1.
What are the key properties of N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide?
N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 338.32 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 124564998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).