3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide

C23H18Cl2N2O2 — CID 10741034

IUPAC3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H18Cl2N2O2/c24-18-12-17(13-19(25)14-18)22(28)26-20-9-7-16(8-10-20)23(29)27-11-3-5-15-4-1-2-6-21(15)27/h1-2,4,6-10,12-14H,3,5,11H2,(H,26,28)
InChIKeyXRMQXOYLWNWWCU-UHFFFAOYSA-N
MW425.32 g/mol
LogP5.84
Rot. Bonds3

About 3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide

3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide (PubChem CID 10741034) has the molecular formula C23H18Cl2N2O2 and a molecular weight of 425.32 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
PubChem CID10741034
Molecular FormulaC23H18Cl2N2O2
Molecular Weight425.32 g/mol
Exact Mass424.07
IUPAC Name3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C23H18Cl2N2O2/c24-18-12-17(13-19(25)14-18)22(28)26-20-9-7-16(8-10-20)23(29)27-11-3-5-15-4-1-2-6-21(15)27/h1-2,4,6-10,12-14H,3,5,11H2,(H,26,28)
InChIKeyXRMQXOYLWNWWCU-UHFFFAOYSA-N
XLogP5.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.32
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide (CID 10741034) is 3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The InChIKey is XRMQXOYLWNWWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O2/c24-18-12-17(13-19(25)14-18)22(28)26-20-9-7-16(8-10-20)23(29)27-11-3-5-15-4-1-2-6-21(15)27/h1-2,4,6-10,12-14H,3,5,11H2,(H,26,28).
What are the key properties of 3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide has a molecular weight of 425.32 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 10741034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).