5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide

C17H18F3N3O — CID 100648066

IUPAC5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide
SMILESCCCNC(=O)c1cc(N)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O/c1-2-8-22-16(24)14-10-12(21)6-7-15(14)23-13-5-3-4-11(9-13)17(18,19)20/h3-7,9-10,23H,2,8,21H2,1H3,(H,22,24)
InChIKeyNWSNFVBCOQAUHW-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.17
Rot. Bonds5

About 5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide

5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide (PubChem CID 100648066) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound Name5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide
PubChem CID100648066
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide
SMILESCCCNC(=O)c1cc(N)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O/c1-2-8-22-16(24)14-10-12(21)6-7-15(14)23-13-5-3-4-11(9-13)17(18,19)20/h3-7,9-10,23H,2,8,21H2,1H3,(H,22,24)
InChIKeyNWSNFVBCOQAUHW-UHFFFAOYSA-N
XLogP4.17
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.17
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-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]benzamide
CID 100648128
propyl 5-amino-2-[3-(trifluoromethyl)anilino]benzoate
CID 100647977
5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide
CID 100643509
5-amino-2-(4-methylanilino)-N-propylbenzamide
CID 100642805
5-amino-2-(4-chloroanilino)-N-propylbenzamide
CID 100645514
5-amino-2-(2-fluoroanilino)-N-propylbenzamide
CID 100644644
5-amino-2-(2-ethylanilino)-N-propylbenzamide
CID 100643869
N-[2-(cyclopropanecarbonylamino)ethyl]-2-[3-(trifluoromethyl)anilino]benzamide
CID 112767635
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
2-(dimethylamino)-N-propyl-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42659116
5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide
CID 100654405
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide
CID 100639001

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide?
The IUPAC name of 5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide (CID 100648066) is 5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for 5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for 5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide is CCCNC(=O)c1cc(N)ccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide?
The InChIKey is NWSNFVBCOQAUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-2-8-22-16(24)14-10-12(21)6-7-15(14)23-13-5-3-4-11(9-13)17(18,19)20/h3-7,9-10,23H,2,8,21H2,1H3,(H,22,24).
What are the key properties of 5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide?
5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide has a molecular weight of 337.35 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 100648066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).