CID 168763640

C14H12ClN2O — CID 168763640

IUPAC—
SMILES[CH2]c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClN2O/c1-10-5-7-12(8-6-10)16-14(18)17-13-4-2-3-11(15)9-13/h2-9H,1H2,(H2,16,17,18)
InChIKeyAYTGYPWYDKSOST-UHFFFAOYSA-N
MW259.72 g/mol
LogP4.17
Rot. Bonds2

About CID 168763640

CID 168763640 (PubChem CID 168763640) has the molecular formula C14H12ClN2O and a molecular weight of 259.72 g/mol.

Molecular Properties

Compound NameCID 168763640
PubChem CID168763640
Molecular FormulaC14H12ClN2O
Molecular Weight259.72 g/mol
Exact Mass259.06
IUPAC Name—
SMILES[CH2]c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClN2O/c1-10-5-7-12(8-6-10)16-14(18)17-13-4-2-3-11(15)9-13/h2-9H,1H2,(H2,16,17,18)
InChIKeyAYTGYPWYDKSOST-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 168763640?
The IUPAC name of CID 168763640 (CID 168763640) is not available.
What is the SMILES notation for CID 168763640?
The canonical SMILES for CID 168763640 is [CH2]c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of CID 168763640?
The InChIKey is AYTGYPWYDKSOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN2O/c1-10-5-7-12(8-6-10)16-14(18)17-13-4-2-3-11(15)9-13/h2-9H,1H2,(H2,16,17,18).
What are the key properties of CID 168763640?
CID 168763640 has a molecular weight of 259.72 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168763640 is sourced from PubChem (CID 168763640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).