4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide

C21H19FN2O — CID 112982011

IUPAC4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
SMILESCc1ccccc1CNc1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H19FN2O/c1-15-4-2-3-5-17(15)14-23-19-10-12-20(13-11-19)24-21(25)16-6-8-18(22)9-7-16/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyWULKYQWZVMFNKH-UHFFFAOYSA-N
MW334.39 g/mol
LogP5.00
Rot. Bonds5

About 4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide

4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide (PubChem CID 112982011) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
PubChem CID112982011
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
SMILESCc1ccccc1CNc1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H19FN2O/c1-15-4-2-3-5-17(15)14-23-19-10-12-20(13-11-19)24-21(25)16-6-8-18(22)9-7-16/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyWULKYQWZVMFNKH-UHFFFAOYSA-N
XLogP5.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-fluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046825
2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982009
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
2-(2-fluorophenyl)-N-[4-[(2-methylphenyl)methylamino]phenyl]acetamide
CID 112982033
N-[4-[(2-methylphenyl)methylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982029
4-[(2-methylphenyl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 99792432
4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011554
methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
CID 43730235
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817
N-[4-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380
N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109064559
4-N-(4-ethylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046822

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide (CID 112982011) is 4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide is Cc1ccccc1CNc1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide?
The InChIKey is WULKYQWZVMFNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-15-4-2-3-5-17(15)14-23-19-10-12-20(13-11-19)24-21(25)16-6-8-18(22)9-7-16/h2-13,23H,14H2,1H3,(H,24,25).
What are the key properties of 4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide?
4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide has a molecular weight of 334.39 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide is sourced from PubChem (CID 112982011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).