CID 43558538

C14H16F3N2O — CID 43558538

IUPAC—
SMILESO=C(CCC1CCC[N]C1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H16F3N2O/c15-10-4-5-11(14(17)13(10)16)19-12(20)6-3-9-2-1-7-18-8-9/h4-5,9H,1-3,6-8H2,(H,19,20)
InChIKeyCMKBPYLZNOWHTI-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.84
Rot. Bonds4

About CID 43558538

CID 43558538 (PubChem CID 43558538) has the molecular formula C14H16F3N2O and a molecular weight of 285.29 g/mol.

Molecular Properties

Compound NameCID 43558538
PubChem CID43558538
Molecular FormulaC14H16F3N2O
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name—
SMILESO=C(CCC1CCC[N]C1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C14H16F3N2O/c15-10-4-5-11(14(17)13(10)16)19-12(20)6-3-9-2-1-7-18-8-9/h4-5,9H,1-3,6-8H2,(H,19,20)
InChIKeyCMKBPYLZNOWHTI-UHFFFAOYSA-N
XLogP2.84
TPSA43.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 43558578
CID 43558578
3-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109013773
3-(1-methylpiperidin-2-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 110865151
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate
CID 2617337
CID 43558685
CID 43558685
3-(3-cyclopentylpropanoylamino)-4-fluorobenzoic acid
CID 60748335
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 2678790
2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550278
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 60647160
2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 64617943
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414

Frequently Asked Questions

What is the IUPAC name of CID 43558538?
The IUPAC name of CID 43558538 (CID 43558538) is not available.
What is the SMILES notation for CID 43558538?
The canonical SMILES for CID 43558538 is O=C(CCC1CCC[N]C1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of CID 43558538?
The InChIKey is CMKBPYLZNOWHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N2O/c15-10-4-5-11(14(17)13(10)16)19-12(20)6-3-9-2-1-7-18-8-9/h4-5,9H,1-3,6-8H2,(H,19,20).
What are the key properties of CID 43558538?
CID 43558538 has a molecular weight of 285.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 43558538 is sourced from PubChem (CID 43558538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).