N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide

C18H18ClFN2O2 — CID 112977042

IUPACN-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C18H18ClFN2O2/c19-15-12-14(20)7-8-17(15)24-11-9-21-18(23)22-10-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-8,12H,3,5,9-11H2,(H,21,23)
InChIKeyUQEJOJCMVLDKSL-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.02
Rot. Bonds4

About N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide

N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 112977042) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID112977042
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C18H18ClFN2O2/c19-15-12-14(20)7-8-17(15)24-11-9-21-18(23)22-10-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-8,12H,3,5,9-11H2,(H,21,23)
InChIKeyUQEJOJCMVLDKSL-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 112974330
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide
CID 112976964
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112977019
N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112970539
N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108893210
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823603
N-[2-(2-chloro-4-fluorophenoxy)ethyl]propanamide
CID 113102910
N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 113217131
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
N-[2-(3-fluorophenyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 108901276
N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
CID 112971555

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 112977042) is N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(NCCOc1ccc(F)cc1Cl)N1CCCc2ccccc21.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is UQEJOJCMVLDKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-15-12-14(20)7-8-17(15)24-11-9-21-18(23)22-10-3-5-13-4-1-2-6-16(13)22/h1-2,4,6-8,12H,3,5,9-11H2,(H,21,23).
What are the key properties of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 112977042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).