N-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide

C24H23FN2O4 — CID 44578957

IUPACN-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESCOc1ccc(C(NC(=O)CNC(=O)c2ccc(F)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23FN2O4/c1-30-20-11-5-16(6-12-20)23(17-7-13-21(31-2)14-8-17)27-22(28)15-26-24(29)18-3-9-19(25)10-4-18/h3-14,23H,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyAGQQFHRGGSZZEV-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.48
Rot. Bonds8

About N-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide

N-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 44578957) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide
PubChem CID44578957
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC NameN-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide
SMILESCOc1ccc(C(NC(=O)CNC(=O)c2ccc(F)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23FN2O4/c1-30-20-11-5-16(6-12-20)23(17-7-13-21(31-2)14-8-17)27-22(28)15-26-24(29)18-3-9-19(25)10-4-18/h3-14,23H,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyAGQQFHRGGSZZEV-UHFFFAOYSA-N
XLogP3.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide (CID 44578957) is N-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide is COc1ccc(C(NC(=O)CNC(=O)c2ccc(F)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is AGQQFHRGGSZZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c1-30-20-11-5-16(6-12-20)23(17-7-13-21(31-2)14-8-17)27-22(28)15-26-24(29)18-3-9-19(25)10-4-18/h3-14,23H,15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 422.46 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 44578957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).