N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C18H20ClFN4O2 — CID 112977019

IUPACN-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H20ClFN4O2/c19-15-13-14(20)4-5-16(15)26-12-7-22-18(25)24-10-8-23(9-11-24)17-3-1-2-6-21-17/h1-6,13H,7-12H2,(H,22,25)
InChIKeyLNVSXDCCUQPYLW-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.78
Rot. Bonds5

About N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 112977019) has the molecular formula C18H20ClFN4O2 and a molecular weight of 378.84 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID112977019
Molecular FormulaC18H20ClFN4O2
Molecular Weight378.84 g/mol
Exact Mass378.13
IUPAC NameN-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1Cl)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H20ClFN4O2/c19-15-13-14(20)4-5-16(15)26-12-7-22-18(25)24-10-8-23(9-11-24)17-3-1-2-6-21-17/h1-6,13H,7-12H2,(H,22,25)
InChIKeyLNVSXDCCUQPYLW-UHFFFAOYSA-N
XLogP2.78
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112970343
N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112969794
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide
CID 112976964
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112976157
4-pyridin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974307
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271
N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108882573
N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112970539
4-pyridin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]piperazine-1-carboxamide
CID 112974901
4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide
CID 27535774
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 112977042

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 112977019) is N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(NCCOc1ccc(F)cc1Cl)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is LNVSXDCCUQPYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O2/c19-15-13-14(20)4-5-16(15)26-12-7-22-18(25)24-10-8-23(9-11-24)17-3-1-2-6-21-17/h1-6,13H,7-12H2,(H,22,25).
What are the key properties of N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 378.84 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 112977019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).