N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide

C17H19FN2O — CID 63229607

IUPACN-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(C)ccc1F)c1cccc(N)c1
InChIInChI=1S/C17H19FN2O/c1-3-9-20(14-6-4-5-13(19)11-14)17(21)15-10-12(2)7-8-16(15)18/h4-8,10-11H,3,9,19H2,1-2H3
InChIKeyYYBQBJBFIXKUOI-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.77
Rot. Bonds4

About N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide

N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide (PubChem CID 63229607) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide
PubChem CID63229607
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(C)ccc1F)c1cccc(N)c1
InChIInChI=1S/C17H19FN2O/c1-3-9-20(14-6-4-5-13(19)11-14)17(21)15-10-12(2)7-8-16(15)18/h4-8,10-11H,3,9,19H2,1-2H3
InChIKeyYYBQBJBFIXKUOI-UHFFFAOYSA-N
XLogP3.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.77
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-(3-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63229820
N-(3-aminophenyl)-5-chloro-2-methyl-N-propylbenzamide
CID 82877888
N-(3-aminophenyl)-2,5-dichloro-N-propylbenzamide
CID 63229945
N-(3-aminophenyl)-3-chloro-4-fluoro-N-propylbenzamide
CID 82872419
5-amino-N-butyl-2-fluoro-N-phenylbenzamide
CID 62056959
N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide
CID 102801161
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide
CID 63229866
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80743723
N-(4-aminophenyl)-2-bromo-5-methyl-N-propylbenzamide
CID 81111009

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide?
The IUPAC name of N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide (CID 63229607) is N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide is CCCN(C(=O)c1cc(C)ccc1F)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide?
The InChIKey is YYBQBJBFIXKUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-9-20(14-6-4-5-13(19)11-14)17(21)15-10-12(2)7-8-16(15)18/h4-8,10-11H,3,9,19H2,1-2H3.
What are the key properties of N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide?
N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide is sourced from PubChem (CID 63229607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).