3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide

C18H19FN2O3 — CID 25438615

IUPAC3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cccc(NC(C)=O)c2)cc1F
InChIInChI=1S/C18H19FN2O3/c1-11(13-7-8-17(24-3)16(19)10-13)20-18(23)14-5-4-6-15(9-14)21-12(2)22/h4-11H,1-3H3,(H,20,23)(H,21,22)/t11-/m1/s1
InChIKeyFVNHRYHEXBYXPP-LLVKDONJSA-N
MW330.36 g/mol
LogP3.28
Rot. Bonds5

About 3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide

3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide (PubChem CID 25438615) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
PubChem CID25438615
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cccc(NC(C)=O)c2)cc1F
InChIInChI=1S/C18H19FN2O3/c1-11(13-7-8-17(24-3)16(19)10-13)20-18(23)14-5-4-6-15(9-14)21-12(2)22/h4-11H,1-3H3,(H,20,23)(H,21,22)/t11-/m1/s1
InChIKeyFVNHRYHEXBYXPP-LLVKDONJSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylcarbamoylamino)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 87023467
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 17427065
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40953695
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(methylsulfinylmethyl)benzamide
CID 86914769
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 55585613
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
3-acetamido-N-[1-(4-bromophenyl)ethyl]benzamide
CID 47004737
3-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]benzamide
CID 26072551
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968315

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide (CID 25438615) is 3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide is COc1ccc([C@@H](C)NC(=O)c2cccc(NC(C)=O)c2)cc1F.
What is the InChIKey of 3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The InChIKey is FVNHRYHEXBYXPP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-11(13-7-8-17(24-3)16(19)10-13)20-18(23)14-5-4-6-15(9-14)21-12(2)22/h4-11H,1-3H3,(H,20,23)(H,21,22)/t11-/m1/s1.
What are the key properties of 3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide has a molecular weight of 330.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 25438615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).