N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide

C30H29FN2O4 — CID 42273802

IUPACN-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(F)cc3)c2)c1OC
InChIInChI=1S/C30H29FN2O4/c1-35-28-8-4-7-27(29(28)36-2)30(34)33(20-23-13-16-32-17-14-23)21-24-5-3-6-26(19-24)37-18-15-22-9-11-25(31)12-10-22/h3-14,16-17,19H,15,18,20-21H2,1-2H3
InChIKeySTYOPGFXNRSUOV-UHFFFAOYSA-N
MW500.57 g/mol
LogP5.70
Rot. Bonds11

About N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide

N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 42273802) has the molecular formula C30H29FN2O4 and a molecular weight of 500.57 g/mol. Its IUPAC name is N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID42273802
Molecular FormulaC30H29FN2O4
Molecular Weight500.57 g/mol
Exact Mass500.21
IUPAC NameN-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(F)cc3)c2)c1OC
InChIInChI=1S/C30H29FN2O4/c1-35-28-8-4-7-27(29(28)36-2)30(34)33(20-23-13-16-32-17-14-23)21-24-5-3-6-26(19-24)37-18-15-22-9-11-25(31)12-10-22/h3-14,16-17,19H,15,18,20-21H2,1-2H3
InChIKeySTYOPGFXNRSUOV-UHFFFAOYSA-N
XLogP5.70
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.57
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 26354544
N-[[3-[2-(2-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45228794
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 42381836
2,3-dimethoxy-N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]benzamide
CID 26334698
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide
CID 26360827
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 42248306
N-[[3-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
CID 42273986
[4-[[(4-fluorophenyl)methyl-(2-methoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 3897805
N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
CID 31643858
N-[3-(dimethylamino)propyl]-N-[[3-[2-[(3-methoxyphenyl)methyl-(6-pyridin-4-yl-1H-indole-2-carbonyl)amino]ethoxy]phenyl]methyl]-6-pyridin-4-yl-1H-indole-2-carboxamide
CID 123712682
N-[[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 29087589
3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60893026

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide (CID 42273802) is N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide is COc1cccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(F)cc3)c2)c1OC.
What is the InChIKey of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is STYOPGFXNRSUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN2O4/c1-35-28-8-4-7-27(29(28)36-2)30(34)33(20-23-13-16-32-17-14-23)21-24-5-3-6-26(19-24)37-18-15-22-9-11-25(31)12-10-22/h3-14,16-17,19H,15,18,20-21H2,1-2H3.
What are the key properties of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide?
N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 500.57 g/mol, XLogP of 5.70, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 42273802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).