CID 71551498

C24H16Cl2NO — CID 71551498

IUPAC—
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2Cl)c1C(=O)/C=C/[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C24H16Cl2NO/c1-15-23(22(28)13-10-16-6-2-3-7-16)24(18-8-4-5-9-20(18)26)19-14-17(25)11-12-21(19)27-15/h2-14H,1H3/b13-10+
InChIKeyPLTKYFUOYYHVNB-JLHYYAGUSA-N
MW405.30 g/mol
LogP6.66
Rot. Bonds4

About CID 71551498

CID 71551498 (PubChem CID 71551498) has the molecular formula C24H16Cl2NO and a molecular weight of 405.30 g/mol.

Molecular Properties

Compound NameCID 71551498
PubChem CID71551498
Molecular FormulaC24H16Cl2NO
Molecular Weight405.30 g/mol
Exact Mass404.06
IUPAC Name—
SMILESCc1nc2ccc(Cl)cc2c(-c2ccccc2Cl)c1C(=O)/C=C/[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C24H16Cl2NO/c1-15-23(22(28)13-10-16-6-2-3-7-16)24(18-8-4-5-9-20(18)26)19-14-17(25)11-12-21(19)27-15/h2-14H,1H3/b13-10+
InChIKeyPLTKYFUOYYHVNB-JLHYYAGUSA-N
XLogP6.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.30
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 71551498?
The IUPAC name of CID 71551498 (CID 71551498) is not available.
What is the SMILES notation for CID 71551498?
The canonical SMILES for CID 71551498 is Cc1nc2ccc(Cl)cc2c(-c2ccccc2Cl)c1C(=O)/C=C/[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 71551498?
The InChIKey is PLTKYFUOYYHVNB-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H16Cl2NO/c1-15-23(22(28)13-10-16-6-2-3-7-16)24(18-8-4-5-9-20(18)26)19-14-17(25)11-12-21(19)27-15/h2-14H,1H3/b13-10+.
What are the key properties of CID 71551498?
CID 71551498 has a molecular weight of 405.30 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71551498 is sourced from PubChem (CID 71551498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).