CID 172704825

C24H25Cl2N3O3 — CID 172704825

IUPAC—
SMILESCC1(C)CCC2(CC1)N[C@@H](C(=O)O)[C@H](c1ccc(Cl)cn1)C21C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C24H25Cl2N3O3/c1-22(2)7-9-23(10-8-22)24(15-5-3-13(25)11-17(15)28-21(24)32)18(19(29-23)20(30)31)16-6-4-14(26)12-27-16/h3-6,11-12,18-19,29H,7-10H2,1-2H3,(H,28,32)(H,30,31)/t18-,19+,24?/m0/s1
InChIKeyDLEJJLBRSJURFU-ZJWBFHOUSA-N
MW474.39 g/mol
LogP4.76
Rot. Bonds2

About CID 172704825

CID 172704825 (PubChem CID 172704825) has the molecular formula C24H25Cl2N3O3 and a molecular weight of 474.39 g/mol.

Molecular Properties

Compound NameCID 172704825
PubChem CID172704825
Molecular FormulaC24H25Cl2N3O3
Molecular Weight474.39 g/mol
Exact Mass473.13
IUPAC Name—
SMILESCC1(C)CCC2(CC1)N[C@@H](C(=O)O)[C@H](c1ccc(Cl)cn1)C21C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C24H25Cl2N3O3/c1-22(2)7-9-23(10-8-22)24(15-5-3-13(25)11-17(15)28-21(24)32)18(19(29-23)20(30)31)16-6-4-14(26)12-27-16/h3-6,11-12,18-19,29H,7-10H2,1-2H3,(H,28,32)(H,30,31)/t18-,19+,24?/m0/s1
InChIKeyDLEJJLBRSJURFU-ZJWBFHOUSA-N
XLogP4.76
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 172704825?
The IUPAC name of CID 172704825 (CID 172704825) is not available.
What is the SMILES notation for CID 172704825?
The canonical SMILES for CID 172704825 is CC1(C)CCC2(CC1)N[C@@H](C(=O)O)[C@H](c1ccc(Cl)cn1)C21C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of CID 172704825?
The InChIKey is DLEJJLBRSJURFU-ZJWBFHOUSA-N. The full InChI is InChI=1S/C24H25Cl2N3O3/c1-22(2)7-9-23(10-8-22)24(15-5-3-13(25)11-17(15)28-21(24)32)18(19(29-23)20(30)31)16-6-4-14(26)12-27-16/h3-6,11-12,18-19,29H,7-10H2,1-2H3,(H,28,32)(H,30,31)/t18-,19+,24?/m0/s1.
What are the key properties of CID 172704825?
CID 172704825 has a molecular weight of 474.39 g/mol, XLogP of 4.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172704825 is sourced from PubChem (CID 172704825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).