N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide

C20H18FNO4 — CID 17487106

IUPACN-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCCOc3ccccc3F)cc(=O)c2c1
InChIInChI=1S/C20H18FNO4/c1-13-7-8-17-14(11-13)16(23)12-19(26-17)20(24)22-9-4-10-25-18-6-3-2-5-15(18)21/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,24)
InChIKeyWFJCTAGYBIMLKS-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.44
Rot. Bonds6

About N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide

N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide (PubChem CID 17487106) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide
PubChem CID17487106
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC NameN-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCCOc3ccccc3F)cc(=O)c2c1
InChIInChI=1S/C20H18FNO4/c1-13-7-8-17-14(11-13)16(23)12-19(26-17)20(24)22-9-4-10-25-18-6-3-2-5-15(18)21/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,24)
InChIKeyWFJCTAGYBIMLKS-UHFFFAOYSA-N
XLogP3.44
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.44
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-(cyclohexylmethyl)-6-methyl-4-oxochromene-2-carboxamide
CID 139328086
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
[2-(2-fluorophenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729035
6-methyl-N-[2-(4-nitroanilino)ethyl]-4-oxochromene-2-carboxamide
CID 9317061
[2-(2,6-difluoroanilino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8728811
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
N-(2,5-dimethylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 23605544
N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide
CID 11854024
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
[2-(butylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
CID 8729302
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide (CID 17487106) is N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide is Cc1ccc2oc(C(=O)NCCCOc3ccccc3F)cc(=O)c2c1.
What is the InChIKey of N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide?
The InChIKey is WFJCTAGYBIMLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-13-7-8-17-14(11-13)16(23)12-19(26-17)20(24)22-9-4-10-25-18-6-3-2-5-15(18)21/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,24).
What are the key properties of N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide?
N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 17487106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).