N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide

C21H19FN2O2 — CID 39697713

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(CNC(=O)c2ccc(OCc3cccnc3)cc2)ccc1F
InChIInChI=1S/C21H19FN2O2/c1-15-11-16(4-9-20(15)22)13-24-21(25)18-5-7-19(8-6-18)26-14-17-3-2-10-23-12-17/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyQKFIAFAOFLMVRN-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.04
Rot. Bonds6

About N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide

N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 39697713) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID39697713
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(CNC(=O)c2ccc(OCc3cccnc3)cc2)ccc1F
InChIInChI=1S/C21H19FN2O2/c1-15-11-16(4-9-20(15)22)13-24-21(25)18-5-7-19(8-6-18)26-14-17-3-2-10-23-12-17/h2-12H,13-14H2,1H3,(H,24,25)
InChIKeyQKFIAFAOFLMVRN-UHFFFAOYSA-N
XLogP4.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
N-(2-fluoro-5-methylphenyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 39676400
4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708042
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708038
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 24980410
N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 32645882
4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 86990543
4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 115161009

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 39697713) is N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(CNC(=O)c2ccc(OCc3cccnc3)cc2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is QKFIAFAOFLMVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-15-11-16(4-9-20(15)22)13-24-21(25)18-5-7-19(8-6-18)26-14-17-3-2-10-23-12-17/h2-12H,13-14H2,1H3,(H,24,25).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide?
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 350.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 39697713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).