4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide

C21H19FN2O — CID 11371049

IUPAC4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(Cc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C21H19FN2O/c22-19-12-8-17(9-13-19)15-24(20-4-2-1-3-5-20)14-16-6-10-18(11-7-16)21(23)25/h1-13H,14-15H2,(H2,23,25)
InChIKeyWETJVLHYKGOJFB-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.13
Rot. Bonds6

About 4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide

4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide (PubChem CID 11371049) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide.

Molecular Properties

Compound Name4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide
PubChem CID11371049
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide
SMILESNC(=O)c1ccc(CN(Cc2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C21H19FN2O/c22-19-12-8-17(9-13-19)15-24(20-4-2-1-3-5-20)14-16-6-10-18(11-7-16)21(23)25/h1-13H,14-15H2,(H2,23,25)
InChIKeyWETJVLHYKGOJFB-UHFFFAOYSA-N
XLogP4.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
4-[[N-[(4-carboxyphenyl)methyl]anilino]methyl]benzoic acid
CID 101475742
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
N,N-dibenzylaniline
CID 139071697
4-[(4-amino-N-ethylanilino)methyl]benzamide
CID 63233885
4-(2-phenylethyl)benzamide
CID 23130460
N-benzyl-N-[(4-fluorophenyl)methyl]-4-methylsulfanylaniline
CID 22036185
chloromethane;4-fluorobenzamide
CID 158476805
2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid
CID 63645116
4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid
CID 55005830
2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid
CID 60838242
(E)-but-2-enedioic acid;4-fluorobenzamide
CID 69010186

Frequently Asked Questions

What is the IUPAC name of 4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide?
The IUPAC name of 4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide (CID 11371049) is 4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide.
What is the SMILES notation for 4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide?
The canonical SMILES for 4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide is NC(=O)c1ccc(CN(Cc2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide?
The InChIKey is WETJVLHYKGOJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c22-19-12-8-17(9-13-19)15-24(20-4-2-1-3-5-20)14-16-6-10-18(11-7-16)21(23)25/h1-13H,14-15H2,(H2,23,25).
What are the key properties of 4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide?
4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide has a molecular weight of 334.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide is sourced from PubChem (CID 11371049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).