4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide

C16H17FN2O — CID 47129744

IUPAC4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(F)cc1)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H17FN2O/c1-19(11-13-4-8-15(17)9-5-13)10-12-2-6-14(7-3-12)16(18)20/h2-9H,10-11H2,1H3,(H2,18,20)
InChIKeyMSLYLKZBEYNDJO-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.56
Rot. Bonds5

About 4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide

4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide (PubChem CID 47129744) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
PubChem CID47129744
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(F)cc1)Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H17FN2O/c1-19(11-13-4-8-15(17)9-5-13)10-12-2-6-14(7-3-12)16(18)20/h2-9H,10-11H2,1H3,(H2,18,20)
InChIKeyMSLYLKZBEYNDJO-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid
CID 55005830
4-[[N-[(4-fluorophenyl)methyl]anilino]methyl]benzamide
CID 11371049
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
chloromethane;4-fluorobenzamide
CID 158476805
4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43458582
4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 63356230
4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 62733184
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
3-[(4-fluorophenyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 62612670
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
4-[[(2-chloroacetyl)-methylamino]methyl]benzamide
CID 60812217
4-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]benzamide
CID 111858640

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide?
The IUPAC name of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide (CID 47129744) is 4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide is CN(Cc1ccc(F)cc1)Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide?
The InChIKey is MSLYLKZBEYNDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-19(11-13-4-8-15(17)9-5-13)10-12-2-6-14(7-3-12)16(18)20/h2-9H,10-11H2,1H3,(H2,18,20).
What are the key properties of 4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide?
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide has a molecular weight of 272.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide is sourced from PubChem (CID 47129744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).