4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide

C18H15ClFN3O — CID 86975020

IUPAC4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide
SMILESO=C(NCCNc1ccc2ccccc2n1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H15ClFN3O/c19-13-6-7-14(15(20)11-13)18(24)22-10-9-21-17-8-5-12-3-1-2-4-16(12)23-17/h1-8,11H,9-10H2,(H,21,23)(H,22,24)
InChIKeyAOYUBCHCLWYUEK-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.87
Rot. Bonds5

About 4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide

4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide (PubChem CID 86975020) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide
PubChem CID86975020
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC Name4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide
SMILESO=C(NCCNc1ccc2ccccc2n1)c1ccc(Cl)cc1F
InChIInChI=1S/C18H15ClFN3O/c19-13-6-7-14(15(20)11-13)18(24)22-10-9-21-17-8-5-12-3-1-2-4-16(12)23-17/h1-8,11H,9-10H2,(H,21,23)(H,22,24)
InChIKeyAOYUBCHCLWYUEK-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

3-fluoro-N-[2-(quinolin-2-ylamino)ethyl]pyridine-4-carboxamide
CID 71991073
2-fluoro-N-[2-[(6-nitroquinolin-2-yl)amino]ethyl]benzamide
CID 133271463
4-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500505
N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119405370
5-tert-butyl-N-[2-(quinolin-2-ylamino)ethyl]-1,3,4-oxadiazole-2-carboxamide
CID 126840990
N-[2-[(4-chlorobenzoyl)amino]ethyl]quinoline-2-carboxamide
CID 41448498
4,6-dichloro-N-[3-(quinolin-2-ylamino)propyl]-1H-indole-2-carboxamide
CID 44534616
N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-2,6-difluorobenzamide
CID 56805454
2-[bis(2-hydroxyethyl)amino]-N-[2-(quinolin-2-ylamino)ethyl]acetamide
CID 125463812
4-chloro-2-fluoro-N-(6-iodohexyl)benzamide
CID 114008622
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
N-[2-[(3-chlorobenzoyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571424

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide (CID 86975020) is 4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide is O=C(NCCNc1ccc2ccccc2n1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide?
The InChIKey is AOYUBCHCLWYUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c19-13-6-7-14(15(20)11-13)18(24)22-10-9-21-17-8-5-12-3-1-2-4-16(12)23-17/h1-8,11H,9-10H2,(H,21,23)(H,22,24).
What are the key properties of 4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide?
4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide 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 4-chloro-2-fluoro-N-[2-(quinolin-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 86975020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).