CID 10430770

C23H23ClN2O2 — CID 10430770

IUPAC—
SMILESCN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(CCCCC2=O)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C23H23ClN2O2/c1-26-14-18(15-9-11-16(24)12-10-15)22(13-5-4-8-20(22)27)23(26)17-6-2-3-7-19(17)25-21(23)28/h2-3,6-7,9-12,18H,4-5,8,13-14H2,1H3,(H,25,28)/t18-,22+,23+/m0/s1
InChIKeyJFKHJIDVBXNYAN-CDNPAEQRSA-N
MW394.90 g/mol
LogP4.35
Rot. Bonds1

About CID 10430770

CID 10430770 (PubChem CID 10430770) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol.

Molecular Properties

Compound NameCID 10430770
PubChem CID10430770
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name—
SMILESCN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(CCCCC2=O)[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C23H23ClN2O2/c1-26-14-18(15-9-11-16(24)12-10-15)22(13-5-4-8-20(22)27)23(26)17-6-2-3-7-19(17)25-21(23)28/h2-3,6-7,9-12,18H,4-5,8,13-14H2,1H3,(H,25,28)/t18-,22+,23+/m0/s1
InChIKeyJFKHJIDVBXNYAN-CDNPAEQRSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 10430770?
The IUPAC name of CID 10430770 (CID 10430770) is not available.
What is the SMILES notation for CID 10430770?
The canonical SMILES for CID 10430770 is CN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(CCCCC2=O)[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of CID 10430770?
The InChIKey is JFKHJIDVBXNYAN-CDNPAEQRSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-26-14-18(15-9-11-16(24)12-10-15)22(13-5-4-8-20(22)27)23(26)17-6-2-3-7-19(17)25-21(23)28/h2-3,6-7,9-12,18H,4-5,8,13-14H2,1H3,(H,25,28)/t18-,22+,23+/m0/s1.
What are the key properties of CID 10430770?
CID 10430770 has a molecular weight of 394.90 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10430770 is sourced from PubChem (CID 10430770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).