3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide

C15H16FN3O — CID 110488278

IUPAC3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
SMILESCN(C)c1cccc(NC(=O)c2ccc(F)c(N)c2)c1
InChIInChI=1S/C15H16FN3O/c1-19(2)12-5-3-4-11(9-12)18-15(20)10-6-7-13(16)14(17)8-10/h3-9H,17H2,1-2H3,(H,18,20)
InChIKeySPAKUFYZYYRKSH-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.73
Rot. Bonds3

About 3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide

3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide (PubChem CID 110488278) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
PubChem CID110488278
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
SMILESCN(C)c1cccc(NC(=O)c2ccc(F)c(N)c2)c1
InChIInChI=1S/C15H16FN3O/c1-19(2)12-5-3-4-11(9-12)18-15(20)10-6-7-13(16)14(17)8-10/h3-9H,17H2,1-2H3,(H,18,20)
InChIKeySPAKUFYZYYRKSH-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 107952935
3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide
CID 115375762
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
3-amino-4-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 43436989
3-amino-4-fluoro-N-(3-sulfamoylphenyl)benzamide
CID 43436961
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78912773
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78906644
4-bromo-3-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115377777
3-N-(3,4-difluorophenyl)-1-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
CID 109057750

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide (CID 110488278) is 3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide is CN(C)c1cccc(NC(=O)c2ccc(F)c(N)c2)c1.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide?
The InChIKey is SPAKUFYZYYRKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-19(2)12-5-3-4-11(9-12)18-15(20)10-6-7-13(16)14(17)8-10/h3-9H,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide?
3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide has a molecular weight of 273.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 110488278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).