5-amino-2-(2-fluoroanilino)-N-propylbenzamide

C16H18FN3O — CID 100644644

IUPAC5-amino-2-(2-fluoroanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)ccc1Nc1ccccc1F
InChIInChI=1S/C16H18FN3O/c1-2-9-19-16(21)12-10-11(18)7-8-14(12)20-15-6-4-3-5-13(15)17/h3-8,10,20H,2,9,18H2,1H3,(H,19,21)
InChIKeyGPFRQVWHZREGDS-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.29
Rot. Bonds5

About 5-amino-2-(2-fluoroanilino)-N-propylbenzamide

5-amino-2-(2-fluoroanilino)-N-propylbenzamide (PubChem CID 100644644) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-amino-2-(2-fluoroanilino)-N-propylbenzamide.

Molecular Properties

Compound Name5-amino-2-(2-fluoroanilino)-N-propylbenzamide
PubChem CID100644644
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name5-amino-2-(2-fluoroanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)ccc1Nc1ccccc1F
InChIInChI=1S/C16H18FN3O/c1-2-9-19-16(21)12-10-11(18)7-8-14(12)20-15-6-4-3-5-13(15)17/h3-8,10,20H,2,9,18H2,1H3,(H,19,21)
InChIKeyGPFRQVWHZREGDS-UHFFFAOYSA-N
XLogP3.29
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.29
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

5-amino-2-(2-ethylanilino)-N-propylbenzamide
CID 100643869
5-amino-2-(4-chloroanilino)-N-propylbenzamide
CID 100645514
5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide
CID 100654405
ethyl 5-amino-2-(2-fluoroanilino)benzoate
CID 61305653
5-amino-2-(4-methylanilino)-N-propylbenzamide
CID 100642805
methyl 5-amino-2-(2-fluoroanilino)benzoate
CID 61306024
5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide
CID 100643509
5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide
CID 100648066
5-amino-2-hydroxy-N-propylbenzamide
CID 19822912
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide
CID 100639001
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-fluoroanilino)-N-propylbenzamide?
The IUPAC name of 5-amino-2-(2-fluoroanilino)-N-propylbenzamide (CID 100644644) is 5-amino-2-(2-fluoroanilino)-N-propylbenzamide.
What is the SMILES notation for 5-amino-2-(2-fluoroanilino)-N-propylbenzamide?
The canonical SMILES for 5-amino-2-(2-fluoroanilino)-N-propylbenzamide is CCCNC(=O)c1cc(N)ccc1Nc1ccccc1F.
What is the InChIKey of 5-amino-2-(2-fluoroanilino)-N-propylbenzamide?
The InChIKey is GPFRQVWHZREGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-2-9-19-16(21)12-10-11(18)7-8-14(12)20-15-6-4-3-5-13(15)17/h3-8,10,20H,2,9,18H2,1H3,(H,19,21).
What are the key properties of 5-amino-2-(2-fluoroanilino)-N-propylbenzamide?
5-amino-2-(2-fluoroanilino)-N-propylbenzamide has a molecular weight of 287.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-fluoroanilino)-N-propylbenzamide is sourced from PubChem (CID 100644644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).