(2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide

C19H18FN7O2 — CID 1443166

IUPAC(2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H18FN7O2/c20-13-3-1-4-15(11-13)23-19(29)26-10-2-5-17(26)18(28)22-14-6-8-16(9-7-14)27-12-21-24-25-27/h1,3-4,6-9,11-12,17H,2,5,10H2,(H,22,28)(H,23,29)/t17-/m0/s1
InChIKeyMQDLIKCFIUMQOV-KRWDZBQOSA-N
MW395.40 g/mol
LogP2.44
Rot. Bonds4

About (2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide

(2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 1443166) has the molecular formula C19H18FN7O2 and a molecular weight of 395.40 g/mol. Its IUPAC name is (2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID1443166
Molecular FormulaC19H18FN7O2
Molecular Weight395.40 g/mol
Exact Mass395.15
IUPAC Name(2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C19H18FN7O2/c20-13-3-1-4-15(11-13)23-19(29)26-10-2-5-17(26)18(28)22-14-6-8-16(9-7-14)27-12-21-24-25-27/h1,3-4,6-9,11-12,17H,2,5,10H2,(H,22,28)(H,23,29)/t17-/m0/s1
InChIKeyMQDLIKCFIUMQOV-KRWDZBQOSA-N
XLogP2.44
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 1443166) is (2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1.
What is the InChIKey of (2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is MQDLIKCFIUMQOV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18FN7O2/c20-13-3-1-4-15(11-13)23-19(29)26-10-2-5-17(26)18(28)22-14-6-8-16(9-7-14)27-12-21-24-25-27/h1,3-4,6-9,11-12,17H,2,5,10H2,(H,22,28)(H,23,29)/t17-/m0/s1.
What are the key properties of (2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 395.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(3-fluorophenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1443166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).