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

C23H19ClN2O2 — CID 2981363

IUPAC2-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1Cl
InChIInChI=1S/C23H19ClN2O2/c24-20-9-3-2-8-19(20)22(27)25-18-13-11-17(12-14-18)23(28)26-15-5-7-16-6-1-4-10-21(16)26/h1-4,6,8-14H,5,7,15H2,(H,25,27)
InChIKeyYNDPBCATUFBWKN-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.19
Rot. Bonds3

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

2-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide (PubChem CID 2981363) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
PubChem CID2981363
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name2-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1Cl
InChIInChI=1S/C23H19ClN2O2/c24-20-9-3-2-8-19(20)22(27)25-18-13-11-17(12-14-18)23(28)26-15-5-7-16-6-1-4-10-21(16)26/h1-4,6,8-14H,5,7,15H2,(H,25,27)
InChIKeyYNDPBCATUFBWKN-UHFFFAOYSA-N
XLogP5.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide (CID 2981363) is 2-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
The InChIKey is YNDPBCATUFBWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-20-9-3-2-8-19(20)22(27)25-18-13-11-17(12-14-18)23(28)26-15-5-7-16-6-1-4-10-21(16)26/h1-4,6,8-14H,5,7,15H2,(H,25,27).
What are the key properties of 2-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide?
2-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide has a molecular weight of 390.87 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 2981363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).