N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide

C23H28F2N2O4 — CID 24655942

IUPACN-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide
SMILESCCOc1ccc(CN(CC)C(=O)CCCNC(=O)c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C23H28F2N2O4/c1-4-27(15-16-8-11-20(31-5-2)21(13-16)30-3)22(28)7-6-12-26-23(29)18-10-9-17(24)14-19(18)25/h8-11,13-14H,4-7,12,15H2,1-3H3,(H,26,29)
InChIKeyPIRWAIIPPHOBJZ-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.93
Rot. Bonds11

About N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide

N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide (PubChem CID 24655942) has the molecular formula C23H28F2N2O4 and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide
PubChem CID24655942
Molecular FormulaC23H28F2N2O4
Molecular Weight434.48 g/mol
Exact Mass434.20
IUPAC NameN-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide
SMILESCCOc1ccc(CN(CC)C(=O)CCCNC(=O)c2ccc(F)cc2F)cc1OC
InChIInChI=1S/C23H28F2N2O4/c1-4-27(15-16-8-11-20(31-5-2)21(13-16)30-3)22(28)7-6-12-26-23(29)18-10-9-17(24)14-19(18)25/h8-11,13-14H,4-7,12,15H2,1-3H3,(H,26,29)
InChIKeyPIRWAIIPPHOBJZ-UHFFFAOYSA-N
XLogP3.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 46536513
2,4-difluoro-N-[3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 29469634
2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
CID 86981597
2,4-difluoro-N-[4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-4-oxobutyl]benzamide
CID 37492052
N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 56510929
2-ethoxy-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 55427222
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]-2,4-difluorobenzamide
CID 108573126
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
2,4-difluoro-N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]benzamide
CID 110886148
3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 18152378
4-(acetamidomethyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655945

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide (CID 24655942) is N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide is CCOc1ccc(CN(CC)C(=O)CCCNC(=O)c2ccc(F)cc2F)cc1OC.
What is the InChIKey of N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide?
The InChIKey is PIRWAIIPPHOBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O4/c1-4-27(15-16-8-11-20(31-5-2)21(13-16)30-3)22(28)7-6-12-26-23(29)18-10-9-17(24)14-19(18)25/h8-11,13-14H,4-7,12,15H2,1-3H3,(H,26,29).
What are the key properties of N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide?
N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide has a molecular weight of 434.48 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-4-oxobutyl]-2,4-difluorobenzamide is sourced from PubChem (CID 24655942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).