N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide

C20H23FN2O3 — CID 113054955

IUPACN-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCOc1ccccc1CN(CCNC(=O)Cc1cccc(F)c1)C(C)=O
InChIInChI=1S/C20H23FN2O3/c1-15(24)23(14-17-7-3-4-9-19(17)26-2)11-10-22-20(25)13-16-6-5-8-18(21)12-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,25)
InChIKeyDDAXKFDWFSEQRE-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.54
Rot. Bonds8

About N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide

N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113054955) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113054955
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
SMILESCOc1ccccc1CN(CCNC(=O)Cc1cccc(F)c1)C(C)=O
InChIInChI=1S/C20H23FN2O3/c1-15(24)23(14-17-7-3-4-9-19(17)26-2)11-10-22-20(25)13-16-6-5-8-18(21)12-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,25)
InChIKeyDDAXKFDWFSEQRE-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113055213
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113053567
N-[2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113056526
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-phenylacetamide
CID 113055835
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113061260
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113119718
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113062642
N-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 18118760
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
CID 113054651
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113057339
N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]-2,6-dimethoxybenzamide
CID 113054757

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide (CID 113054955) is N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide is COc1ccccc1CN(CCNC(=O)Cc1cccc(F)c1)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is DDAXKFDWFSEQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-15(24)23(14-17-7-3-4-9-19(17)26-2)11-10-22-20(25)13-16-6-5-8-18(21)12-16/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide?
N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 358.41 g/mol, XLogP of 2.54, 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-methoxyphenyl)methyl]amino]ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113054955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).