4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide

C15H16FN3O — CID 60869436

IUPAC4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide
SMILESCN(Cc1ccccc1N)c1ccc(C(N)=O)cc1F
InChIInChI=1S/C15H16FN3O/c1-19(9-11-4-2-3-5-13(11)17)14-7-6-10(15(18)20)8-12(14)16/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyVGWQIUBHGXYSBS-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.14
Rot. Bonds4

About 4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide

4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide (PubChem CID 60869436) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide
PubChem CID60869436
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide
SMILESCN(Cc1ccccc1N)c1ccc(C(N)=O)cc1F
InChIInChI=1S/C15H16FN3O/c1-19(9-11-4-2-3-5-13(11)17)14-7-6-10(15(18)20)8-12(14)16/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyVGWQIUBHGXYSBS-UHFFFAOYSA-N
XLogP2.14
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
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-[(2-aminophenyl)methyl-methylamino]-5-chlorobenzamide
CID 62494381
2-[(2-aminophenyl)methyl-methylamino]-4-chlorobenzamide
CID 63083482
3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide
CID 61358055
4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43458582
3-(4-carbamoyl-2-fluoro-N-methylanilino)-2-methylpropanoic acid
CID 55007341
4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 63356230
3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide
CID 61415166
N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 43458424
4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 60871365
3-bromo-4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 82801528
1-[3-chloro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]ethanone
CID 62909660

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide?
The IUPAC name of 4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide (CID 60869436) is 4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide.
What is the SMILES notation for 4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide?
The canonical SMILES for 4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide is CN(Cc1ccccc1N)c1ccc(C(N)=O)cc1F.
What is the InChIKey of 4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide?
The InChIKey is VGWQIUBHGXYSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19(9-11-4-2-3-5-13(11)17)14-7-6-10(15(18)20)8-12(14)16/h2-8H,9,17H2,1H3,(H2,18,20).
What are the key properties of 4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide?
4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide has a molecular weight of 273.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide is sourced from PubChem (CID 60869436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).