2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide

C12H14F3NO3 — CID 61425303

IUPAC2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C12H14F3NO3/c1-2-3-16(4-5-17)12(19)7-6-8(13)10(15)11(18)9(7)14/h6,17-18H,2-5H2,1H3
InChIKeyNUJRGJHKBZBJAD-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.65
Rot. Bonds5

About 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide

2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide (PubChem CID 61425303) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
PubChem CID61425303
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C12H14F3NO3/c1-2-3-16(4-5-17)12(19)7-6-8(13)10(15)11(18)9(7)14/h6,17-18H,2-5H2,1H3
InChIKeyNUJRGJHKBZBJAD-UHFFFAOYSA-N
XLogP1.65
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-butyl-2,4,5-trifluoro-3-hydroxybenzamide
CID 80659762
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 82771632
2,5-difluoro-N-(2-hydroxyethyl)-4-nitro-N-propylbenzamide
CID 115776617
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 107722509
5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 110903029
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
ethyl 2-[ethyl-(2,4,5-trifluoro-3-hydroxybenzoyl)amino]acetate
CID 61011714
3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide
CID 107120608
N-butyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
CID 79749456
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 114034963
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 43501008
1-hydroxy-N-(2-hydroxyethyl)-N-propylnaphthalene-2-carboxamide
CID 60747623

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide?
The IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide (CID 61425303) is 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide.
What is the SMILES notation for 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide?
The canonical SMILES for 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide is CCCN(CCO)C(=O)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide?
The InChIKey is NUJRGJHKBZBJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-2-3-16(4-5-17)12(19)7-6-8(13)10(15)11(18)9(7)14/h6,17-18H,2-5H2,1H3.
What are the key properties of 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide?
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide has a molecular weight of 277.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide is sourced from PubChem (CID 61425303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).