3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide

C15H16FN3O — CID 115934270

IUPAC3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide
SMILESCN(Cc1ccc(F)cc1)c1c(N)cccc1C(N)=O
InChIInChI=1S/C15H16FN3O/c1-19(9-10-5-7-11(16)8-6-10)14-12(15(18)20)3-2-4-13(14)17/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyXCDALNZGMPRVRO-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.14
Rot. Bonds4

About 3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide

3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide (PubChem CID 115934270) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide.

Molecular Properties

Compound Name3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide
PubChem CID115934270
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide
SMILESCN(Cc1ccc(F)cc1)c1c(N)cccc1C(N)=O
InChIInChI=1S/C15H16FN3O/c1-19(9-10-5-7-11(16)8-6-10)14-12(15(18)20)3-2-4-13(14)17/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyXCDALNZGMPRVRO-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

3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzoic acid
CID 115934268
3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide
CID 115934261
3-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]benzamide
CID 112578626
4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 63356230
3-amino-2-(2-fluoro-N-methylanilino)benzamide
CID 112578744
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
2-amino-3-[benzyl(methyl)amino]benzamide
CID 115544396
1-[2-amino-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528417
ethyl 3-amino-2-(4-fluoro-N-methylanilino)benzoate
CID 115934746
3-amino-2-[bis(2-hydroxyethyl)amino]benzamide
CID 112578295
3-amino-2-[(3-cyanophenyl)methyl-methylamino]benzoic acid
CID 115934917

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide?
The IUPAC name of 3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide (CID 115934270) is 3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide.
What is the SMILES notation for 3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide?
The canonical SMILES for 3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide is CN(Cc1ccc(F)cc1)c1c(N)cccc1C(N)=O.
What is the InChIKey of 3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide?
The InChIKey is XCDALNZGMPRVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19(9-10-5-7-11(16)8-6-10)14-12(15(18)20)3-2-4-13(14)17/h2-8H,9,17H2,1H3,(H2,18,20).
What are the key properties of 3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide?
3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide 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 3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide is sourced from PubChem (CID 115934270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).