N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide

C22H21FN2O3 — CID 42381836

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(CN(Cc2ccncc2)C(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C22H21FN2O3/c1-27-20-8-7-17(13-21(20)28-2)15-25(14-16-9-11-24-12-10-16)22(26)18-5-3-4-6-19(18)23/h3-13H,14-15H2,1-2H3
InChIKeyQZESBZARIZIPTG-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.08
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide

N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 42381836) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
PubChem CID42381836
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(CN(Cc2ccncc2)C(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C22H21FN2O3/c1-27-20-8-7-17(13-21(20)28-2)15-25(14-16-9-11-24-12-10-16)22(26)18-5-3-4-6-19(18)23/h3-13H,14-15H2,1-2H3
InChIKeyQZESBZARIZIPTG-UHFFFAOYSA-N
XLogP4.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)benzamide
CID 26360827
N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-1-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 45222522
[5-[[(2-fluorobenzoyl)-[(4-fluorophenyl)methyl]amino]methyl]-2-methoxyphenyl] 4-acetamidobenzenesulfonate
CID 46135347
N-[[3-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,3-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 42273802
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
N-[[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-5,7-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 42432553
N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701860
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-fluorobenzamide
CID 7123351
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 8834218
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 42165859
2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide
CID 46006377
2-methoxy-N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide
CID 19015137

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide (CID 42381836) is N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide is COc1ccc(CN(Cc2ccncc2)C(=O)c2ccccc2F)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is QZESBZARIZIPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-27-20-8-7-17(13-21(20)28-2)15-25(14-16-9-11-24-12-10-16)22(26)18-5-3-4-6-19(18)23/h3-13H,14-15H2,1-2H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 380.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 42381836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).