N-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide

C21H18FN3O2 — CID 137353182

IUPACN-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H18FN3O2/c22-16-8-11-19(18(23)13-16)25-21(27)15-6-9-17(10-7-15)24-20(26)12-14-4-2-1-3-5-14/h1-11,13H,12,23H2,(H,24,26)(H,25,27)
InChIKeyWXCKEBVXHYBOCL-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.84
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide

N-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide (PubChem CID 137353182) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide
PubChem CID137353182
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC NameN-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide
SMILESNc1cc(F)ccc1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H18FN3O2/c22-16-8-11-19(18(23)13-16)25-21(27)15-6-9-17(10-7-15)24-20(26)12-14-4-2-1-3-5-14/h1-11,13H,12,23H2,(H,24,26)(H,25,27)
InChIKeyWXCKEBVXHYBOCL-UHFFFAOYSA-N
XLogP3.84
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide (CID 137353182) is N-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide is Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide?
The InChIKey is WXCKEBVXHYBOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-16-8-11-19(18(23)13-16)25-21(27)15-6-9-17(10-7-15)24-20(26)12-14-4-2-1-3-5-14/h1-11,13H,12,23H2,(H,24,26)(H,25,27).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide?
N-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide has a molecular weight of 363.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-[(2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 137353182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).