3-[(2-amino-5-fluoroanilino)methyl]benzamide

C14H14FN3O — CID 123298867

IUPAC3-[(2-amino-5-fluoroanilino)methyl]benzamide
SMILESNC(=O)c1cccc(CNc2cc(F)ccc2N)c1
InChIInChI=1S/C14H14FN3O/c15-11-4-5-12(16)13(7-11)18-8-9-2-1-3-10(6-9)14(17)19/h1-7,18H,8,16H2,(H2,17,19)
InChIKeyYBLQSGOYNKPONA-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.12
Rot. Bonds4

About 3-[(2-amino-5-fluoroanilino)methyl]benzamide

3-[(2-amino-5-fluoroanilino)methyl]benzamide (PubChem CID 123298867) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-[(2-amino-5-fluoroanilino)methyl]benzamide.

Molecular Properties

Compound Name3-[(2-amino-5-fluoroanilino)methyl]benzamide
PubChem CID123298867
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name3-[(2-amino-5-fluoroanilino)methyl]benzamide
SMILESNC(=O)c1cccc(CNc2cc(F)ccc2N)c1
InChIInChI=1S/C14H14FN3O/c15-11-4-5-12(16)13(7-11)18-8-9-2-1-3-10(6-9)14(17)19/h1-7,18H,8,16H2,(H2,17,19)
InChIKeyYBLQSGOYNKPONA-UHFFFAOYSA-N
XLogP2.12
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,5-difluoroanilino)methyl]benzamide
CID 28584265
2-N-[(3-chlorophenyl)methyl]-4-fluorobenzene-1,2-diamine
CID 55086539
4-amino-3-[(2,4-difluorophenyl)methylamino]benzamide
CID 63356572
3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide
CID 83077384
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
3-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440
3-[(2-cyanoanilino)methyl]benzamide
CID 28580909
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide
CID 110928608
2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 28970511
3-[(5-fluoro-2-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029984
3-[(carbamoylamino)methyl]benzamide
CID 166184789
4-[(2-bromo-5-fluoroanilino)methyl]benzamide
CID 103750683

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-fluoroanilino)methyl]benzamide?
The IUPAC name of 3-[(2-amino-5-fluoroanilino)methyl]benzamide (CID 123298867) is 3-[(2-amino-5-fluoroanilino)methyl]benzamide.
What is the SMILES notation for 3-[(2-amino-5-fluoroanilino)methyl]benzamide?
The canonical SMILES for 3-[(2-amino-5-fluoroanilino)methyl]benzamide is NC(=O)c1cccc(CNc2cc(F)ccc2N)c1.
What is the InChIKey of 3-[(2-amino-5-fluoroanilino)methyl]benzamide?
The InChIKey is YBLQSGOYNKPONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-11-4-5-12(16)13(7-11)18-8-9-2-1-3-10(6-9)14(17)19/h1-7,18H,8,16H2,(H2,17,19).
What are the key properties of 3-[(2-amino-5-fluoroanilino)methyl]benzamide?
3-[(2-amino-5-fluoroanilino)methyl]benzamide has a molecular weight of 259.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-fluoroanilino)methyl]benzamide is sourced from PubChem (CID 123298867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).