(3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone

C15H23FN4O4 — CID 46191522

IUPAC(3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone
SMILESC[C@@H]1/C=C(\F)[C@H](C)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](C)NC1=O
InChIInChI=1S/C15H23FN4O4/c1-7-5-11(16)8(2)19-15(24)10(4)18-12(21)6-17-14(23)9(3)20-13(7)22/h5,7-10H,6H2,1-4H3,(H,17,23)(H,18,21)(H,19,24)(H,20,22)/b11-5-/t7-,8+,9+,10-/m1/s1
InChIKeyAFUDKYGBXSRBQP-AMJDYDRMSA-N
MW342.37 g/mol
LogP-0.88
Rot. Bonds

About (3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone

(3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone (PubChem CID 46191522) has the molecular formula C15H23FN4O4 and a molecular weight of 342.37 g/mol. Its IUPAC name is (3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone.

Molecular Properties

Compound Name(3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone
PubChem CID46191522
Molecular FormulaC15H23FN4O4
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC Name(3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone
SMILESC[C@@H]1/C=C(\F)[C@H](C)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](C)NC1=O
InChIInChI=1S/C15H23FN4O4/c1-7-5-11(16)8(2)19-15(24)10(4)18-12(21)6-17-14(23)9(3)20-13(7)22/h5,7-10H,6H2,1-4H3,(H,17,23)(H,18,21)(H,19,24)(H,20,22)/b11-5-/t7-,8+,9+,10-/m1/s1
InChIKeyAFUDKYGBXSRBQP-AMJDYDRMSA-N
XLogP-0.88
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone?
The IUPAC name of (3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone (CID 46191522) is (3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone.
What is the SMILES notation for (3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone?
The canonical SMILES for (3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone is C[C@@H]1/C=C(\F)[C@H](C)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](C)NC1=O.
What is the InChIKey of (3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone?
The InChIKey is AFUDKYGBXSRBQP-AMJDYDRMSA-N. The full InChI is InChI=1S/C15H23FN4O4/c1-7-5-11(16)8(2)19-15(24)10(4)18-12(21)6-17-14(23)9(3)20-13(7)22/h5,7-10H,6H2,1-4H3,(H,17,23)(H,18,21)(H,19,24)(H,20,22)/b11-5-/t7-,8+,9+,10-/m1/s1.
What are the key properties of (3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone?
(3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone has a molecular weight of 342.37 g/mol, XLogP of -0.88, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9S,12R,13Z,15S)-14-fluoro-3,9,12,15-tetramethyl-1,4,7,10-tetrazacyclopentadec-13-ene-2,5,8,11-tetrone is sourced from PubChem (CID 46191522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).