3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide

C16H17FN2O2 — CID 106484635

IUPAC3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide
SMILESCNCc1ccccc1OCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C16H17FN2O2/c1-19-9-12-4-2-3-5-15(12)21-10-13-7-6-11(16(18)20)8-14(13)17/h2-8,19H,9-10H2,1H3,(H2,18,20)
InChIKeyDPTYLHKRBUZPST-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.22
Rot. Bonds6

About 3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide

3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide (PubChem CID 106484635) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide
PubChem CID106484635
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide
SMILESCNCc1ccccc1OCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C16H17FN2O2/c1-19-9-12-4-2-3-5-15(12)21-10-13-7-6-11(16(18)20)8-14(13)17/h2-8,19H,9-10H2,1H3,(H2,18,20)
InChIKeyDPTYLHKRBUZPST-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[(2-hydroxyphenoxy)methyl]benzamide
CID 43326327
3-fluoro-4-[(2-methoxyphenoxy)methyl]benzoic acid
CID 63072909
methyl 3-fluoro-4-[(2-fluorophenoxy)methyl]benzoate
CID 71089392
4-fluoro-3-[(2-hydroxyphenoxy)methyl]benzamide
CID 43143477
3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid
CID 107714150
4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
CID 24697423
3-fluoro-4-[(2-methylphenoxy)methyl]benzoic acid
CID 63073082
4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide
CID 103009131
1-[2-[[4-methoxy-2-(methylaminomethyl)phenyl]methoxy]phenyl]-N-methylmethanamine
CID 123641873
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
2-fluoro-6-[2-(methylaminomethyl)phenoxy]benzamide
CID 106485411

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide?
The IUPAC name of 3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide (CID 106484635) is 3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide is CNCc1ccccc1OCc1ccc(C(N)=O)cc1F.
What is the InChIKey of 3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide?
The InChIKey is DPTYLHKRBUZPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-19-9-12-4-2-3-5-15(12)21-10-13-7-6-11(16(18)20)8-14(13)17/h2-8,19H,9-10H2,1H3,(H2,18,20).
What are the key properties of 3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide?
3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide has a molecular weight of 288.32 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[2-(methylaminomethyl)phenoxy]methyl]benzamide is sourced from PubChem (CID 106484635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).