N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide

C20H23FN2O3 — CID 113055827

IUPACN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide
SMILESCOc1ccccc1CCN(CCNC(=O)c1ccc(F)cc1)C(C)=O
InChIInChI=1S/C20H23FN2O3/c1-15(24)23(13-11-16-5-3-4-6-19(16)26-2)14-12-22-20(25)17-7-9-18(21)10-8-17/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyRZDJSMMLOUFPGV-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.66
Rot. Bonds8

About N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide

N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide (PubChem CID 113055827) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide
PubChem CID113055827
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide
SMILESCOc1ccccc1CCN(CCNC(=O)c1ccc(F)cc1)C(C)=O
InChIInChI=1S/C20H23FN2O3/c1-15(24)23(13-11-16-5-3-4-6-19(16)26-2)14-12-22-20(25)17-7-9-18(21)10-8-17/h3-10H,11-14H2,1-2H3,(H,22,25)
InChIKeyRZDJSMMLOUFPGV-UHFFFAOYSA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide
CID 113055835
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113055841
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]propanamide
CID 113055809
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenoxyacetamide
CID 113055840
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
CID 113055550
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055816
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113054653
N-[2-(dimethylsulfamoylamino)ethyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113055867
N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113055767
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
CID 113054651
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
CID 113055959

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide (CID 113055827) is N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide is COc1ccccc1CCN(CCNC(=O)c1ccc(F)cc1)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide?
The InChIKey is RZDJSMMLOUFPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-15(24)23(13-11-16-5-3-4-6-19(16)26-2)14-12-22-20(25)17-7-9-18(21)10-8-17/h3-10H,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide?
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide has a molecular weight of 358.41 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 113055827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).