N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide

C24H24FN3O3 — CID 55770583

IUPACN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C24H24FN3O3/c1-2-28(16-23(29)27-15-18-8-10-21(25)11-9-18)24(30)20-6-3-7-22(13-20)31-17-19-5-4-12-26-14-19/h3-14H,2,15-17H2,1H3,(H,27,29)
InChIKeyQYYQQGDAWJFJIR-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.58
Rot. Bonds9

About N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55770583) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID55770583
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C24H24FN3O3/c1-2-28(16-23(29)27-15-18-8-10-21(25)11-9-18)24(30)20-6-3-7-22(13-20)31-17-19-5-4-12-26-14-19/h3-14H,2,15-17H2,1H3,(H,27,29)
InChIKeyQYYQQGDAWJFJIR-UHFFFAOYSA-N
XLogP3.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55457399
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55788737
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55773708
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55772817
4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 18113059
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
CID 17426138
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-phenylmethoxybenzamide
CID 26266292
3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46588810
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
3-ethoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-propoxybenzamide
CID 18280419

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide (CID 55770583) is N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is QYYQQGDAWJFJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-2-28(16-23(29)27-15-18-8-10-21(25)11-9-18)24(30)20-6-3-7-22(13-20)31-17-19-5-4-12-26-14-19/h3-14H,2,15-17H2,1H3,(H,27,29).
What are the key properties of N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide?
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 421.47 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55770583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).