N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide

C12H15F3N2O2 — CID 43601777

IUPACN-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide
SMILESCCNCCCNC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C12H15F3N2O2/c1-2-16-4-3-5-17-12(19)7-6-8(13)10(15)11(18)9(7)14/h6,16,18H,2-5H2,1H3,(H,17,19)
InChIKeyZNGACHNIUZKQRL-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.54
Rot. Bonds6

About N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide

N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide (PubChem CID 43601777) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide
PubChem CID43601777
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide
SMILESCCNCCCNC(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C12H15F3N2O2/c1-2-16-4-3-5-17-12(19)7-6-8(13)10(15)11(18)9(7)14/h6,16,18H,2-5H2,1H3,(H,17,19)
InChIKeyZNGACHNIUZKQRL-UHFFFAOYSA-N
XLogP1.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 43501008
2-methyl-4-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]butanoic acid
CID 80538589
N-(cyanomethyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 55026463
5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
CID 43601629
N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 76948281
N-butyl-2,4,5-trifluoro-3-methoxybenzamide
CID 91730406
N-[2-(bromomethyl)-2-ethylbutyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 106255706
N-(4-amino-2,2-dimethylbutyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 106140043
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 115319640
N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
CID 82829925
3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The IUPAC name of N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide (CID 43601777) is N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide is CCNCCCNC(=O)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide?
The InChIKey is ZNGACHNIUZKQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-2-16-4-3-5-17-12(19)7-6-8(13)10(15)11(18)9(7)14/h6,16,18H,2-5H2,1H3,(H,17,19).
What are the key properties of N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide?
N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide has a molecular weight of 276.26 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-2,4,5-trifluoro-3-hydroxybenzamide is sourced from PubChem (CID 43601777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).