6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide

C24H24FNO2 — CID 175641343

IUPAC6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide
SMILESCc1c(F)cccc1-c1ccc2cc(C(=O)N(C)CC3CCCO3)ccc2c1
InChIInChI=1S/C24H24FNO2/c1-16-22(6-3-7-23(16)25)19-10-8-18-14-20(11-9-17(18)13-19)24(27)26(2)15-21-5-4-12-28-21/h3,6-11,13-14,21H,4-5,12,15H2,1-2H3
InChIKeyAQLUSQKDDZFTFX-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.21
Rot. Bonds4

About 6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide

6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide (PubChem CID 175641343) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide
PubChem CID175641343
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide
SMILESCc1c(F)cccc1-c1ccc2cc(C(=O)N(C)CC3CCCO3)ccc2c1
InChIInChI=1S/C24H24FNO2/c1-16-22(6-3-7-23(16)25)19-10-8-18-14-20(11-9-17(18)13-19)24(27)26(2)15-21-5-4-12-28-21/h3,6-11,13-14,21H,4-5,12,15H2,1-2H3
InChIKeyAQLUSQKDDZFTFX-UHFFFAOYSA-N
XLogP5.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55100104
3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435845
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
4-(3-cyano-4-fluorophenyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzamide
CID 126449152
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
3-(chloromethyl)-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61435695
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide?
The IUPAC name of 6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide (CID 175641343) is 6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide is Cc1c(F)cccc1-c1ccc2cc(C(=O)N(C)CC3CCCO3)ccc2c1.
What is the InChIKey of 6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide?
The InChIKey is AQLUSQKDDZFTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-16-22(6-3-7-23(16)25)19-10-8-18-14-20(11-9-17(18)13-19)24(27)26(2)15-21-5-4-12-28-21/h3,6-11,13-14,21H,4-5,12,15H2,1-2H3.
What are the key properties of 6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide?
6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methylphenyl)-N-methyl-N-(oxolan-2-ylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 175641343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).