4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide

C19H22F3N3O2 — CID 46399393

IUPAC4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H22F3N3O2/c1-2-3-12-27-16-7-4-14(5-8-16)18(26)24-11-10-23-17-9-6-15(13-25-17)19(20,21)22/h4-9,13H,2-3,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyRMNXHHMAAUPWLU-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.12
Rot. Bonds9

About 4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide

4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide (PubChem CID 46399393) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
PubChem CID46399393
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H22F3N3O2/c1-2-3-12-27-16-7-4-14(5-8-16)18(26)24-11-10-23-17-9-6-15(13-25-17)19(20,21)22/h4-9,13H,2-3,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyRMNXHHMAAUPWLU-UHFFFAOYSA-N
XLogP4.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-pentoxybenzamide
CID 122326918
3-(diethylsulfamoyl)-4-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55617740
4-butoxy-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 71799880
4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066466
N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986
4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-(2-oxopyrrolidin-1-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46399286
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-pentoxybenzamide
CID 122293670
N-butyl-4-propoxybenzamide
CID 17142951
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide (CID 46399393) is 4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide is CCCCOc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
The InChIKey is RMNXHHMAAUPWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-2-3-12-27-16-7-4-14(5-8-16)18(26)24-11-10-23-17-9-6-15(13-25-17)19(20,21)22/h4-9,13H,2-3,10-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide?
4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide has a molecular weight of 381.40 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide is sourced from PubChem (CID 46399393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).