3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide

C21H20FNO2 — CID 143141519

IUPAC3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide
SMILESCNC(=O)c1cc2cc(OC(C)C)ccc2cc1-c1ccc(F)cc1
InChIInChI=1S/C21H20FNO2/c1-13(2)25-18-9-6-15-11-19(14-4-7-17(22)8-5-14)20(21(24)23-3)12-16(15)10-18/h4-13H,1-3H3,(H,23,24)
InChIKeyLAFJTYGOKZTJAA-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.79
Rot. Bonds4

About 3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide

3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide (PubChem CID 143141519) has the molecular formula C21H20FNO2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide
PubChem CID143141519
Molecular FormulaC21H20FNO2
Molecular Weight337.39 g/mol
Exact Mass337.15
IUPAC Name3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide
SMILESCNC(=O)c1cc2cc(OC(C)C)ccc2cc1-c1ccc(F)cc1
InChIInChI=1S/C21H20FNO2/c1-13(2)25-18-9-6-15-11-19(14-4-7-17(22)8-5-14)20(21(24)23-3)12-16(15)10-18/h4-13H,1-3H3,(H,23,24)
InChIKeyLAFJTYGOKZTJAA-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-1-benzofuran-2-carboxamide
CID 143141449
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 23372838
2-fluoro-6-(4-propan-2-yloxyphenyl)naphthalene
CID 71063289
N-[1-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
CID 171908403
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
5-fluoro-N-methyl-2-propan-2-ylbenzamide
CID 154975628
tert-butyl 2-(4-methylphenyl)-4-propan-2-yloxybenzoate
CID 18398662
2-(4-chlorophenyl)-4-propan-2-yloxybenzoic acid
CID 66737668
(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 63661997
N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]-4-propan-2-yloxybenzamide
CID 17013908
2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide
CID 63109637

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide (CID 143141519) is 3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide is CNC(=O)c1cc2cc(OC(C)C)ccc2cc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide?
The InChIKey is LAFJTYGOKZTJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2/c1-13(2)25-18-9-6-15-11-19(14-4-7-17(22)8-5-14)20(21(24)23-3)12-16(15)10-18/h4-13H,1-3H3,(H,23,24).
What are the key properties of 3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide?
3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methyl-7-propan-2-yloxynaphthalene-2-carboxamide is sourced from PubChem (CID 143141519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).