5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide

C21H24FNO3 — CID 55969027

IUPAC5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)c1cc(F)ccc1C
InChIInChI=1S/C21H24FNO3/c1-15-9-10-17(22)12-19(15)21(24)23(14-18-7-5-11-26-18)13-16-6-3-4-8-20(16)25-2/h3-4,6,8-10,12,18H,5,7,11,13-14H2,1-2H3
InChIKeyOBCGNMNZEUKZJN-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.96
Rot. Bonds6

About 5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide

5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 55969027) has the molecular formula C21H24FNO3 and a molecular weight of 357.43 g/mol. Its IUPAC name is 5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID55969027
Molecular FormulaC21H24FNO3
Molecular Weight357.43 g/mol
Exact Mass357.17
IUPAC Name5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccccc1CN(CC1CCCO1)C(=O)c1cc(F)ccc1C
InChIInChI=1S/C21H24FNO3/c1-15-9-10-17(22)12-19(15)21(24)23(14-18-7-5-11-26-18)13-16-6-3-4-8-20(16)25-2/h3-4,6,8-10,12,18H,5,7,11,13-14H2,1-2H3
InChIKeyOBCGNMNZEUKZJN-UHFFFAOYSA-N
XLogP3.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120623170
5-chloro-2-methoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967862
4-amino-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119729693
3-iodo-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967993
2-methoxy-6-methyl-N-[(2-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 131930751
4-ethoxy-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55968249
1-[(2-methoxyphenyl)methyl]-3-[2-(N-methylanilino)ethyl]-1-(oxolan-2-ylmethyl)urea
CID 78886130
1-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 55968255
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 119729721
N-[(2-methoxyphenyl)methyl]-1,3-dioxo-N,2-bis(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 55968894
2-(cyclopropylmethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729703
2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 119729719

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 55969027) is 5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide is COc1ccccc1CN(CC1CCCO1)C(=O)c1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is OBCGNMNZEUKZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3/c1-15-9-10-17(22)12-19(15)21(24)23(14-18-7-5-11-26-18)13-16-6-3-4-8-20(16)25-2/h3-4,6,8-10,12,18H,5,7,11,13-14H2,1-2H3.
What are the key properties of 5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide?
5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 357.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2-methoxyphenyl)methyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 55969027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).