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

C30H29FN2O4 — CID 42472657

IUPACN-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(F)cc3)c2)cc1OC
InChIInChI=1S/C30H29FN2O4/c1-35-28-11-8-25(19-29(28)36-2)30(34)33(20-23-12-15-32-16-13-23)21-24-4-3-5-27(18-24)37-17-14-22-6-9-26(31)10-7-22/h3-13,15-16,18-19H,14,17,20-21H2,1-2H3
InChIKeyGZRREPHQSBJRJK-UHFFFAOYSA-N
MW500.57 g/mol
LogP5.70
Rot. Bonds11

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

N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 42472657) 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]-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID42472657
Molecular FormulaC30H29FN2O4
Molecular Weight500.57 g/mol
Exact Mass500.21
IUPAC NameN-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(F)cc3)c2)cc1OC
InChIInChI=1S/C30H29FN2O4/c1-35-28-11-8-25(19-29(28)36-2)30(34)33(20-23-12-15-32-16-13-23)21-24-4-3-5-27(18-24)37-17-14-22-6-9-26(31)10-7-22/h3-13,15-16,18-19H,14,17,20-21H2,1-2H3
InChIKeyGZRREPHQSBJRJK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 10185372
3-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl}benzamide
CID 11398411
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-ethoxyphenyl}carbonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 11752638
3-[2-(4-chlorophenyl)ethoxy]-4-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396258
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
3-Methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde
CID 759793
3-{4-[(6,7-Dimethoxyquinolin-4-yl)oxy]phenyl}-1-(4-fluorophenyl)-1,2-dihydropyridin-2-one (3)
CID 118987427
3-(4-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-1-(3-fluorophenyl)pyridin-2(1H)-one (13)
CID 118987430
N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide
CID 134823958
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-2-ylmethyl)piperazine
CID 11237358
1-({3-[2-(2,4-Dichlorophenyl)ethoxy]-4-methoxyphenyl}carbonyl)-4-(pyridin-4-yl)piperazine
CID 11329232
Ethyl 6-[3-[[isopropyl-[4-(4-pyridyl)benzoyl]amino]methyl]phenoxy]hexanoate
CID 70686323

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide (CID 42472657) is N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2ccncc2)Cc2cccc(OCCc3ccc(F)cc3)c2)cc1OC.
What is the InChIKey of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is GZRREPHQSBJRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN2O4/c1-35-28-11-8-25(19-29(28)36-2)30(34)33(20-23-12-15-32-16-13-23)21-24-4-3-5-27(18-24)37-17-14-22-6-9-26(31)10-7-22/h3-13,15-16,18-19H,14,17,20-21H2,1-2H3.
What are the key properties of N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide?
N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-3,4-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]-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 42472657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).