3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide

C16H18FN3O — CID 43375822

IUPAC3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide
SMILESCN(Cc1cccc(F)c1)Cc1ccc(C(N)=O)cc1N
InChIInChI=1S/C16H18FN3O/c1-20(9-11-3-2-4-14(17)7-11)10-13-6-5-12(16(19)21)8-15(13)18/h2-8H,9-10,18H2,1H3,(H2,19,21)
InChIKeyDVWZMBDPHUYIDN-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.14
Rot. Bonds5

About 3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide

3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide (PubChem CID 43375822) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide
PubChem CID43375822
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide
SMILESCN(Cc1cccc(F)c1)Cc1ccc(C(N)=O)cc1N
InChIInChI=1S/C16H18FN3O/c1-20(9-11-3-2-4-14(17)7-11)10-13-6-5-12(16(19)21)8-15(13)18/h2-8H,9-10,18H2,1H3,(H2,19,21)
InChIKeyDVWZMBDPHUYIDN-UHFFFAOYSA-N
XLogP2.14
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(2-aminophenyl)methyl-methylamino]methyl]-3-fluorobenzamide
CID 43458579
2-amino-6-[[(3-fluorophenyl)methyl-methylamino]methyl]benzoic acid
CID 104824281
4-[[(3-fluorophenyl)methyl-methylamino]methyl]-3-methylbenzenecarbothioamide
CID 114481716
3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 43376086
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
5-fluoro-2-[[(3-fluorophenyl)methyl-methylamino]methyl]benzoic acid
CID 63289360
4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43458582
[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 3-amino-4-ethylbenzoate
CID 95788331
3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide
CID 81052658
3-amino-4-[(3-fluorophenoxy)methyl]benzamide
CID 43376530
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 28801952
3-amino-4-ethylbenzamide
CID 19977641

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide?
The IUPAC name of 3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide (CID 43375822) is 3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide.
What is the SMILES notation for 3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide?
The canonical SMILES for 3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide is CN(Cc1cccc(F)c1)Cc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide?
The InChIKey is DVWZMBDPHUYIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-20(9-11-3-2-4-14(17)7-11)10-13-6-5-12(16(19)21)8-15(13)18/h2-8H,9-10,18H2,1H3,(H2,19,21).
What are the key properties of 3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide?
3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide has a molecular weight of 287.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide is sourced from PubChem (CID 43375822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).