2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide

C18H19FN2O3 — CID 122144197

IUPAC2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2cccc(C)c2F)cc1
InChIInChI=1S/C18H19FN2O3/c1-12-4-3-5-15(17(12)19)18(23)21-11-16(22)20-10-13-6-8-14(24-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIAKSSFPLNGFJPQ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.19
Rot. Bonds6

About 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide

2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 122144197) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide
PubChem CID122144197
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2cccc(C)c2F)cc1
InChIInChI=1S/C18H19FN2O3/c1-12-4-3-5-15(17(12)19)18(23)21-11-16(22)20-10-13-6-8-14(24-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyIAKSSFPLNGFJPQ-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
2-(2-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 48502002
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80718402
N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46598045
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52764158
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711623
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide (CID 122144197) is 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide is COc1ccc(CNC(=O)CNC(=O)c2cccc(C)c2F)cc1.
What is the InChIKey of 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is IAKSSFPLNGFJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12-4-3-5-15(17(12)19)18(23)21-11-16(22)20-10-13-6-8-14(24-2)9-7-13/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide?
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 330.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 122144197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).