N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide

C14H16F3NO2 — CID 79749875

IUPACN-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(F)c(F)c1F)N(CCO)C1CCCC1
InChIInChI=1S/C14H16F3NO2/c15-11-6-5-10(12(16)13(11)17)14(20)18(7-8-19)9-3-1-2-4-9/h5-6,9,19H,1-4,7-8H2
InChIKeyCMJTZKOJQQFKFQ-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.48
Rot. Bonds4

About N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide

N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 79749875) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
PubChem CID79749875
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC NameN-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(F)c(F)c1F)N(CCO)C1CCCC1
InChIInChI=1S/C14H16F3NO2/c15-11-6-5-10(12(16)13(11)17)14(20)18(7-8-19)9-3-1-2-4-9/h5-6,9,19H,1-4,7-8H2
InChIKeyCMJTZKOJQQFKFQ-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994214
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691
3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 106547829
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62510137
N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)-2-iodobenzamide
CID 103863295
2-amino-N-cyclopentyl-3-fluoro-N-(2-hydroxyethyl)benzamide
CID 62662448
N-cyclopentyl-5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 115298997
N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide
CID 79749886
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3,4-trifluorobenzamide
CID 79755748
N-cyclopentyl-2,4-dihydroxy-N-(2-hydroxyethyl)benzamide
CID 54994498
2,3,4-trifluoro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 67489578
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide (CID 79749875) is N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide is O=C(c1ccc(F)c(F)c1F)N(CCO)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is CMJTZKOJQQFKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-11-6-5-10(12(16)13(11)17)14(20)18(7-8-19)9-3-1-2-4-9/h5-6,9,19H,1-4,7-8H2.
What are the key properties of N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide?
N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 287.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 79749875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).