N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide

C18H15ClFN3O — CID 6473490

IUPACN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide
SMILESO=C(NCCNc1ccnc2cc(Cl)ccc12)c1ccccc1F
InChIInChI=1S/C18H15ClFN3O/c19-12-5-6-14-16(7-8-21-17(14)11-12)22-9-10-23-18(24)13-3-1-2-4-15(13)20/h1-8,11H,9-10H2,(H,21,22)(H,23,24)
InChIKeyNIAQVDJOGMHEEB-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.87
Rot. Bonds5

About N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide

N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide (PubChem CID 6473490) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide
PubChem CID6473490
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC NameN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide
SMILESO=C(NCCNc1ccnc2cc(Cl)ccc12)c1ccccc1F
InChIInChI=1S/C18H15ClFN3O/c19-12-5-6-14-16(7-8-21-17(14)11-12)22-9-10-23-18(24)13-3-1-2-4-15(13)20/h1-8,11H,9-10H2,(H,21,22)(H,23,24)
InChIKeyNIAQVDJOGMHEEB-UHFFFAOYSA-N
XLogP3.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
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FR-261529
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N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1H-indole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide (CID 6473490) is N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide is O=C(NCCNc1ccnc2cc(Cl)ccc12)c1ccccc1F.
What is the InChIKey of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide?
The InChIKey is NIAQVDJOGMHEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c19-12-5-6-14-16(7-8-21-17(14)11-12)22-9-10-23-18(24)13-3-1-2-4-15(13)20/h1-8,11H,9-10H2,(H,21,22)(H,23,24).
What are the key properties of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide?
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide has a molecular weight of 343.79 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 6473490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).