1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide

C19H18F2N6O — CID 45227139

IUPAC1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)C1CCCN1Cc1cc(F)ccc1F
InChIInChI=1S/C19H18F2N6O/c20-14-6-7-17(21)13(9-14)11-26-8-2-5-18(26)19(28)23-15-3-1-4-16(10-15)27-12-22-24-25-27/h1,3-4,6-7,9-10,12,18H,2,5,8,11H2,(H,23,28)
InChIKeyYRRSKZWEXDKEGQ-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.54
Rot. Bonds5

About 1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide

1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 45227139) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID45227139
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC Name1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)C1CCCN1Cc1cc(F)ccc1F
InChIInChI=1S/C19H18F2N6O/c20-14-6-7-17(21)13(9-14)11-26-8-2-5-18(26)19(28)23-15-3-1-4-16(10-15)27-12-22-24-25-27/h1,3-4,6-7,9-10,12,18H,2,5,8,11H2,(H,23,28)
InChIKeyYRRSKZWEXDKEGQ-UHFFFAOYSA-N
XLogP2.54
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 45227139) is 1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)C1CCCN1Cc1cc(F)ccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is YRRSKZWEXDKEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c20-14-6-7-17(21)13(9-14)11-26-8-2-5-18(26)19(28)23-15-3-1-4-16(10-15)27-12-22-24-25-27/h1,3-4,6-7,9-10,12,18H,2,5,8,11H2,(H,23,28).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45227139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).