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

C15H16FN3O — CID 63356230

IUPAC4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide
SMILESCN(Cc1ccc(F)cc1)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C15H16FN3O/c1-19(9-10-2-5-12(16)6-3-10)14-8-11(15(18)20)4-7-13(14)17/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyNDGMYPLBOOIXKC-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.14
Rot. Bonds4

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

4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide (PubChem CID 63356230) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide.

Molecular Properties

Compound Name4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide
PubChem CID63356230
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide
SMILESCN(Cc1ccc(F)cc1)c1cc(C(N)=O)ccc1N
InChIInChI=1S/C15H16FN3O/c1-19(9-10-2-5-12(16)6-3-10)14-8-11(15(18)20)4-7-13(14)17/h2-8H,9,17H2,1H3,(H2,18,20)
InChIKeyNDGMYPLBOOIXKC-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-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide
CID 61415166
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzamide
CID 63355837
4-amino-3-[(4-bromothiophen-2-yl)methyl-methylamino]benzamide
CID 63356603
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzamide
CID 112656815
4-amino-3-[(4-bromophenyl)methyl-methylamino]-N-methylbenzamide
CID 63357471
4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide
CID 60869436
2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid
CID 135325242
3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 115934270
1-[3-[(4-fluorophenyl)methyl-methylamino]-4-methylsulfonylphenyl]ethanone
CID 75501817
2-chloro-4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554599
3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61415810

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide?
The IUPAC name of 4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide (CID 63356230) is 4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide.
What is the SMILES notation for 4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide?
The canonical SMILES for 4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide is CN(Cc1ccc(F)cc1)c1cc(C(N)=O)ccc1N.
What is the InChIKey of 4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide?
The InChIKey is NDGMYPLBOOIXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19(9-10-2-5-12(16)6-3-10)14-8-11(15(18)20)4-7-13(14)17/h2-8H,9,17H2,1H3,(H2,18,20).
What are the key properties of 4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide?
4-amino-3-[(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 4-amino-3-[(4-fluorophenyl)methyl-methylamino]benzamide is sourced from PubChem (CID 63356230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).