N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide

C24H25FN2O3 — CID 46056787

IUPACN-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N(C)Cc2ccco2)c1
InChIInChI=1S/C24H25FN2O3/c1-3-23(28)27(16-18-9-11-20(25)12-10-18)21-7-4-6-19(14-21)15-24(29)26(2)17-22-8-5-13-30-22/h4-14H,3,15-17H2,1-2H3
InChIKeyNHPXPHPPVYCQEG-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.56
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide

N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide (PubChem CID 46056787) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide
PubChem CID46056787
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide
SMILESCCC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N(C)Cc2ccco2)c1
InChIInChI=1S/C24H25FN2O3/c1-3-23(28)27(16-18-9-11-20(25)12-10-18)21-7-4-6-19(14-21)15-24(29)26(2)17-22-8-5-13-30-22/h4-14H,3,15-17H2,1-2H3
InChIKeyNHPXPHPPVYCQEG-UHFFFAOYSA-N
XLogP4.56
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide (CID 46056787) is N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide is CCC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N(C)Cc2ccco2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide?
The InChIKey is NHPXPHPPVYCQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-3-23(28)27(16-18-9-11-20(25)12-10-18)21-7-4-6-19(14-21)15-24(29)26(2)17-22-8-5-13-30-22/h4-14H,3,15-17H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide?
N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide has a molecular weight of 408.47 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]propanamide is sourced from PubChem (CID 46056787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).