CID 102599649

C19H28ClN2O2 — CID 102599649

IUPAC—
SMILESCOC/C=C(\NC1CC(C)(C)N([O])C(C)(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C19H28ClN2O2/c1-18(2)12-16(13-19(3,4)22(18)23)21-17(10-11-24-5)14-6-8-15(20)9-7-14/h6-10,16,21H,11-13H2,1-5H3/b17-10-
InChIKeyWFPWSHJEBSTCGL-YVLHZVERSA-N
MW351.90 g/mol
LogP4.28
Rot. Bonds5

About CID 102599649

CID 102599649 (PubChem CID 102599649) has the molecular formula C19H28ClN2O2 and a molecular weight of 351.90 g/mol.

Molecular Properties

Compound NameCID 102599649
PubChem CID102599649
Molecular FormulaC19H28ClN2O2
Molecular Weight351.90 g/mol
Exact Mass351.18
IUPAC Name—
SMILESCOC/C=C(\NC1CC(C)(C)N([O])C(C)(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C19H28ClN2O2/c1-18(2)12-16(13-19(3,4)22(18)23)21-17(10-11-24-5)14-6-8-15(20)9-7-14/h6-10,16,21H,11-13H2,1-5H3/b17-10-
InChIKeyWFPWSHJEBSTCGL-YVLHZVERSA-N
XLogP4.28
TPSA44.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 102599649?
The IUPAC name of CID 102599649 (CID 102599649) is not available.
What is the SMILES notation for CID 102599649?
The canonical SMILES for CID 102599649 is COC/C=C(\NC1CC(C)(C)N([O])C(C)(C)C1)c1ccc(Cl)cc1.
What is the InChIKey of CID 102599649?
The InChIKey is WFPWSHJEBSTCGL-YVLHZVERSA-N. The full InChI is InChI=1S/C19H28ClN2O2/c1-18(2)12-16(13-19(3,4)22(18)23)21-17(10-11-24-5)14-6-8-15(20)9-7-14/h6-10,16,21H,11-13H2,1-5H3/b17-10-.
What are the key properties of CID 102599649?
CID 102599649 has a molecular weight of 351.90 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102599649 is sourced from PubChem (CID 102599649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).