4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide

C23H23FN2O2 — CID 119050090

IUPAC4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide
SMILESCOc1cc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)ccc1C
InChIInChI=1S/C23H23FN2O2/c1-16-6-7-18(13-22(16)28-2)15-25-14-17-4-3-5-21(12-17)26-23(27)19-8-10-20(24)11-9-19/h3-13,25H,14-15H2,1-2H3,(H,26,27)
InChIKeyFTHZNXWLYADGBU-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.68
Rot. Bonds7

About 4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide

4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide (PubChem CID 119050090) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide
PubChem CID119050090
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide
SMILESCOc1cc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)ccc1C
InChIInChI=1S/C23H23FN2O2/c1-16-6-7-18(13-22(16)28-2)15-25-14-17-4-3-5-21(12-17)26-23(27)19-8-10-20(24)11-9-19/h3-13,25H,14-15H2,1-2H3,(H,26,27)
InChIKeyFTHZNXWLYADGBU-UHFFFAOYSA-N
XLogP4.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55947983
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CID 38033064
4-methyl-N-[3-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
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4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
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4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
2-(3,4-dimethoxyphenyl)-N-[3-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119438239
N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
CID 126186357
N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide
CID 64793166
N-(3-benzoylphenyl)-3-methoxy-4-methylbenzamide
CID 52843930
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
4-fluoro-N-[3-[[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]methyl]phenyl]benzamide
CID 133371592

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide (CID 119050090) is 4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide is COc1cc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)ccc1C.
What is the InChIKey of 4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide?
The InChIKey is FTHZNXWLYADGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c1-16-6-7-18(13-22(16)28-2)15-25-14-17-4-3-5-21(12-17)26-23(27)19-8-10-20(24)11-9-19/h3-13,25H,14-15H2,1-2H3,(H,26,27).
What are the key properties of 4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide?
4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[[(3-methoxy-4-methylphenyl)methylamino]methyl]phenyl]benzamide is sourced from PubChem (CID 119050090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).