N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide

C18H19FN2O3 — CID 110790226

IUPACN-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2F)cc1NC(C)=O
InChIInChI=1S/C18H19FN2O3/c1-12(22)21-16-11-13(7-8-17(16)24-2)9-10-20-18(23)14-5-3-4-6-15(14)19/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHPVVNHLCZILPDO-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide

N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide (PubChem CID 110790226) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide
PubChem CID110790226
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2F)cc1NC(C)=O
InChIInChI=1S/C18H19FN2O3/c1-12(22)21-16-11-13(7-8-17(16)24-2)9-10-20-18(23)14-5-3-4-6-15(14)19/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHPVVNHLCZILPDO-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide
CID 110790237
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 4260266
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 9083338
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
N-[2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]ethyl]-2-fluorobenzamide
CID 55974953
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide
CID 110789797
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143
N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
CID 98015785
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide (CID 110790226) is N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide is COc1ccc(CCNC(=O)c2ccccc2F)cc1NC(C)=O.
What is the InChIKey of N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide?
The InChIKey is HPVVNHLCZILPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12(22)21-16-11-13(7-8-17(16)24-2)9-10-20-18(23)14-5-3-4-6-15(14)19/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide?
N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide has a molecular weight of 330.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 110790226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).