N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide

C17H19FN2O — CID 63230441

IUPACN-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccc(F)cc1)c1ccccc1N
InChIInChI=1S/C17H19FN2O/c1-2-11-20(16-6-4-3-5-15(16)19)17(21)12-13-7-9-14(18)10-8-13/h3-10H,2,11-12,19H2,1H3
InChIKeyRUYBAMGGGFVHSW-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.39
Rot. Bonds5

About N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide

N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide (PubChem CID 63230441) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide
PubChem CID63230441
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccc(F)cc1)c1ccccc1N
InChIInChI=1S/C17H19FN2O/c1-2-11-20(16-6-4-3-5-15(16)19)17(21)12-13-7-9-14(18)10-8-13/h3-10H,2,11-12,19H2,1H3
InChIKeyRUYBAMGGGFVHSW-UHFFFAOYSA-N
XLogP3.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
N-(2-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63230448
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
N-(2-aminophenyl)-N-(2-hydroxyethyl)propanamide
CID 43547811
1-(2-aminophenyl)-3-benzyl-1-propylurea
CID 107653018
N-(2-aminophenyl)-N-propylfuran-2-carboxamide
CID 63230481
1-(2-aminophenyl)-3,3-diethyl-1-propylurea
CID 79154664
N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide
CID 79985121
2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
CID 55173815
N-(2-aminophenyl)-N-propylpyridine-2-carboxamide
CID 63230351
ethyl N-(2-aminophenyl)-N-[2-(dimethylamino)ethyl]carbamate
CID 19811357
N-(2-aminophenyl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 63230482

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide?
The IUPAC name of N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide (CID 63230441) is N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide?
The canonical SMILES for N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide is CCCN(C(=O)Cc1ccc(F)cc1)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide?
The InChIKey is RUYBAMGGGFVHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-2-11-20(16-6-4-3-5-15(16)19)17(21)12-13-7-9-14(18)10-8-13/h3-10H,2,11-12,19H2,1H3.
What are the key properties of N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide?
N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide has a molecular weight of 286.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide is sourced from PubChem (CID 63230441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).