N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide

C17H18ClFN2O4 — CID 90349487

IUPACN-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1c(CF)cc(C(=O)NCCCOc2ccccc2Cl)c(O)c1=O
InChIInChI=1S/C17H18ClFN2O4/c1-21-11(10-19)9-12(15(22)17(21)24)16(23)20-7-4-8-25-14-6-3-2-5-13(14)18/h2-3,5-6,9,22H,4,7-8,10H2,1H3,(H,20,23)
InChIKeyCAPRDVRILZFFQM-UHFFFAOYSA-N
MW368.79 g/mol
LogP2.41
Rot. Bonds7

About N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide

N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 90349487) has the molecular formula C17H18ClFN2O4 and a molecular weight of 368.79 g/mol. Its IUPAC name is N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID90349487
Molecular FormulaC17H18ClFN2O4
Molecular Weight368.79 g/mol
Exact Mass368.09
IUPAC NameN-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1c(CF)cc(C(=O)NCCCOc2ccccc2Cl)c(O)c1=O
InChIInChI=1S/C17H18ClFN2O4/c1-21-11(10-19)9-12(15(22)17(21)24)16(23)20-7-4-8-25-14-6-3-2-5-13(14)18/h2-3,5-6,9,22H,4,7-8,10H2,1H3,(H,20,23)
InChIKeyCAPRDVRILZFFQM-UHFFFAOYSA-N
XLogP2.41
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.79
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide
CID 3150911
methyl 4-[3-[[6-[3-fluoro-5-(fluoromethyl)phenyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl]amino]propoxy]benzoate
CID 90349450
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
5-bromo-2-chloro-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42571761
3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide
CID 90355439
3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzamide
CID 113102932
2-chloro-4,5-difluoro-N-[2-(2-fluorophenoxy)ethyl]benzamide
CID 3107152
N-[2-(2-chlorophenoxy)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 5302938
1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea
CID 108883413
N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 133164174
butyl 2-[3-(2-chlorophenoxy)propylcarbamoylamino]benzoate
CID 108883426

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (CID 90349487) is N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is Cn1c(CF)cc(C(=O)NCCCOc2ccccc2Cl)c(O)c1=O.
What is the InChIKey of N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is CAPRDVRILZFFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O4/c1-21-11(10-19)9-12(15(22)17(21)24)16(23)20-7-4-8-25-14-6-3-2-5-13(14)18/h2-3,5-6,9,22H,4,7-8,10H2,1H3,(H,20,23).
What are the key properties of N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 368.79 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenoxy)propyl]-6-(fluoromethyl)-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 90349487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).