N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide

C28H25FN2O3 — CID 42248306

IUPACN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(Cc2ccc(OCc3ccc(F)cc3)cc2)Cc2cccnc2)c1
InChIInChI=1S/C28H25FN2O3/c1-33-27-6-2-5-24(16-27)28(32)31(19-23-4-3-15-30-17-23)18-21-9-13-26(14-10-21)34-20-22-7-11-25(29)12-8-22/h2-17H,18-20H2,1H3
InChIKeyKRTCIDVITZGKNH-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.65
Rot. Bonds9

About N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 42248306) has the molecular formula C28H25FN2O3 and a molecular weight of 456.52 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID42248306
Molecular FormulaC28H25FN2O3
Molecular Weight456.52 g/mol
Exact Mass456.18
IUPAC NameN-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1cccc(C(=O)N(Cc2ccc(OCc3ccc(F)cc3)cc2)Cc2cccnc2)c1
InChIInChI=1S/C28H25FN2O3/c1-33-27-6-2-5-24(16-27)28(32)31(19-23-4-3-15-30-17-23)18-21-9-13-26(14-10-21)34-20-22-7-11-25(29)12-8-22/h2-17H,18-20H2,1H3
InChIKeyKRTCIDVITZGKNH-UHFFFAOYSA-N
XLogP5.65
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-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

N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
N-[2-(2-fluorophenyl)ethyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110426924
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55770583
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 42438893
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55773708
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(pyridin-3-ylmethoxy)benzamide
CID 55772817
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853797
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360509
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820
N-[(4-fluorophenyl)methyl]-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 51070823
1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 60650680
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 55595750

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide (CID 42248306) is N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide is COc1cccc(C(=O)N(Cc2ccc(OCc3ccc(F)cc3)cc2)Cc2cccnc2)c1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is KRTCIDVITZGKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O3/c1-33-27-6-2-5-24(16-27)28(32)31(19-23-4-3-15-30-17-23)18-21-9-13-26(14-10-21)34-20-22-7-11-25(29)12-8-22/h2-17H,18-20H2,1H3.
What are the key properties of N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide?
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 456.52 g/mol, XLogP of 5.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 42248306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).