CID 23660617

C21H17ClNO2 — CID 23660617

IUPAC—
SMILES[O]N1c2ccccc2OCC1(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClNO2/c22-18-12-10-17(11-13-18)21(14-16-6-2-1-3-7-16)15-25-20-9-5-4-8-19(20)23(21)24/h1-13H,14-15H2
InChIKeyQKTCASHYLTZHML-UHFFFAOYSA-N
MW350.83 g/mol
LogP5.02
Rot. Bonds3

About CID 23660617

CID 23660617 (PubChem CID 23660617) has the molecular formula C21H17ClNO2 and a molecular weight of 350.83 g/mol.

Molecular Properties

Compound NameCID 23660617
PubChem CID23660617
Molecular FormulaC21H17ClNO2
Molecular Weight350.83 g/mol
Exact Mass350.09
IUPAC Name—
SMILES[O]N1c2ccccc2OCC1(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClNO2/c22-18-12-10-17(11-13-18)21(14-16-6-2-1-3-7-16)15-25-20-9-5-4-8-19(20)23(21)24/h1-13H,14-15H2
InChIKeyQKTCASHYLTZHML-UHFFFAOYSA-N
XLogP5.02
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.83
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Cambridge id 5265145
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CID 1896106
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CID 19748819
4-(4-Chlorophenyl)-1-[[4-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]piperidin-4-ol
CID 19748833
4-(4-Chlorophenyl)-1-[(7-fluoro-4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]piperidin-4-ol
CID 19748859
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CID 176101144
2-(4-chlorophenoxy)-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone
CID 3117951
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CID 102567379

Frequently Asked Questions

What is the IUPAC name of CID 23660617?
The IUPAC name of CID 23660617 (CID 23660617) is not available.
What is the SMILES notation for CID 23660617?
The canonical SMILES for CID 23660617 is [O]N1c2ccccc2OCC1(Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of CID 23660617?
The InChIKey is QKTCASHYLTZHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClNO2/c22-18-12-10-17(11-13-18)21(14-16-6-2-1-3-7-16)15-25-20-9-5-4-8-19(20)23(21)24/h1-13H,14-15H2.
What are the key properties of CID 23660617?
CID 23660617 has a molecular weight of 350.83 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23660617 is sourced from PubChem (CID 23660617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).