N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide

C21H25FN2O3 — CID 46045670

IUPACN-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)NCCOC)cc1
InChIInChI=1S/C21H25FN2O3/c1-3-21(26)24(15-17-4-8-18(22)9-5-17)19-10-6-16(7-11-19)14-20(25)23-12-13-27-2/h4-11H,3,12-15H2,1-2H3,(H,23,25)
InChIKeyZMDDQDWSRDJUTO-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.07
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide

N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide (PubChem CID 46045670) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
PubChem CID46045670
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)NCCOC)cc1
InChIInChI=1S/C21H25FN2O3/c1-3-21(26)24(15-17-4-8-18(22)9-5-17)19-10-6-16(7-11-19)14-20(25)23-12-13-27-2/h4-11H,3,12-15H2,1-2H3,(H,23,25)
InChIKeyZMDDQDWSRDJUTO-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
CID 46045881
N-[(4-fluorophenyl)methyl]-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]phenyl]propanamide
CID 42852861
2-[(4-fluorophenyl)methyl-propanoylamino]-N-(2-methoxyethyl)propanamide
CID 133213000
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-phenylethyl)acetamide
CID 42852806
3-(4-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 70870353
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
2-chloro-N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 39442873
N-(2-aminooxyethyl)-2-(4-fluorophenyl)acetamide
CID 39243053
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide
CID 46052427
2-[3-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(2-methoxyethyl)acetamide
CID 46056595

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide (CID 46045670) is N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide is CCC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)NCCOC)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide?
The InChIKey is ZMDDQDWSRDJUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-3-21(26)24(15-17-4-8-18(22)9-5-17)19-10-6-16(7-11-19)14-20(25)23-12-13-27-2/h4-11H,3,12-15H2,1-2H3,(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide?
N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide has a molecular weight of 372.44 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide is sourced from PubChem (CID 46045670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).