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

C21H25FN2O3 — CID 113055919

IUPACN-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
SMILESCOc1cccc(CCN(CCNC(=O)Cc2ccccc2F)C(C)=O)c1
InChIInChI=1S/C21H25FN2O3/c1-16(25)24(12-10-17-6-5-8-19(14-17)27-2)13-11-23-21(26)15-18-7-3-4-9-20(18)22/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyJSIRWELBMOIGKF-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.58
Rot. Bonds9

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

N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 113055919) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID113055919
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
SMILESCOc1cccc(CCN(CCNC(=O)Cc2ccccc2F)C(C)=O)c1
InChIInChI=1S/C21H25FN2O3/c1-16(25)24(12-10-17-6-5-8-19(14-17)27-2)13-11-23-21(26)15-18-7-3-4-9-20(18)22/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyJSIRWELBMOIGKF-UHFFFAOYSA-N
XLogP2.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113121357
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide
CID 113055892
3-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172563
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113121361
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113164665
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113055884
N-[2-(methanesulfonamido)ethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113055933
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide
CID 113164636
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
CID 113055550
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide
CID 113121447
2-(N-acetyl-2-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113170749
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113053081

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide (CID 113055919) is N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide is COc1cccc(CCN(CCNC(=O)Cc2ccccc2F)C(C)=O)c1.
What is the InChIKey of N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is JSIRWELBMOIGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-16(25)24(12-10-17-6-5-8-19(14-17)27-2)13-11-23-21(26)15-18-7-3-4-9-20(18)22/h3-9,14H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide?
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 372.44 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 113055919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).