1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide

C24H24FNO2 — CID 118266804

IUPAC1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide
SMILESCc1ccc(Cc2cc(C(=O)NC3CCOCC3)c(F)c3ccccc23)cc1
InChIInChI=1S/C24H24FNO2/c1-16-6-8-17(9-7-16)14-18-15-22(23(25)21-5-3-2-4-20(18)21)24(27)26-19-10-12-28-13-11-19/h2-9,15,19H,10-14H2,1H3,(H,26,27)
InChIKeyIANDTXKTAFSZCE-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.79
Rot. Bonds4

About 1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide

1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide (PubChem CID 118266804) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide
PubChem CID118266804
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide
SMILESCc1ccc(Cc2cc(C(=O)NC3CCOCC3)c(F)c3ccccc23)cc1
InChIInChI=1S/C24H24FNO2/c1-16-6-8-17(9-7-16)14-18-15-22(23(25)21-5-3-2-4-20(18)21)24(27)26-19-10-12-28-13-11-19/h2-9,15,19H,10-14H2,1H3,(H,26,27)
InChIKeyIANDTXKTAFSZCE-UHFFFAOYSA-N
XLogP4.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide?
The IUPAC name of 1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide (CID 118266804) is 1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide?
The canonical SMILES for 1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide is Cc1ccc(Cc2cc(C(=O)NC3CCOCC3)c(F)c3ccccc23)cc1.
What is the InChIKey of 1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide?
The InChIKey is IANDTXKTAFSZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-16-6-8-17(9-7-16)14-18-15-22(23(25)21-5-3-2-4-20(18)21)24(27)26-19-10-12-28-13-11-19/h2-9,15,19H,10-14H2,1H3,(H,26,27).
What are the key properties of 1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide?
1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide has a molecular weight of 377.46 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 1-fluoro-4-[(4-methylphenyl)methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 118266804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).