4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide

C16H16F2N2O — CID 28620047

IUPAC4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O/c1-19-16(21)12-4-2-11(3-5-12)9-20-10-13-6-7-14(17)8-15(13)18/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyHZBDBDQVDZLIHC-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.61
Rot. Bonds5

About 4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide

4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide (PubChem CID 28620047) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide
PubChem CID28620047
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H16F2N2O/c1-19-16(21)12-4-2-11(3-5-12)9-20-10-13-6-7-14(17)8-15(13)18/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyHZBDBDQVDZLIHC-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62228707
methyl 4-[(2,4-difluorophenyl)methyl]benzoate
CID 101156425
CID 167532226
CID 167532226
N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide
CID 60739464
4-[[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]methyl]-N-methylbenzamide
CID 110887813
4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 103605319
N-[2-[(2,4-difluorophenyl)methylamino]ethyl]acetamide
CID 28684424
N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide
CID 66409354
CID 58696093
CID 58696093
4-carbamothioyl-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62063820
4-[[4-(2,4-difluorophenyl)butan-2-ylamino]methyl]benzoic acid
CID 122036055
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
CID 28620365

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide (CID 28620047) is 4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNCc2ccc(F)cc2F)cc1.
What is the InChIKey of 4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide?
The InChIKey is HZBDBDQVDZLIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-19-16(21)12-4-2-11(3-5-12)9-20-10-13-6-7-14(17)8-15(13)18/h2-8,20H,9-10H2,1H3,(H,19,21).
What are the key properties of 4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide?
4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide has a molecular weight of 290.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 28620047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).