CID 43558578

C14H18FN2O — CID 43558578

IUPAC—
SMILESO=C(CCC1CCC[N]C1)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN2O/c15-12-4-6-13(7-5-12)17-14(18)8-3-11-2-1-9-16-10-11/h4-7,11H,1-3,8-10H2,(H,17,18)
InChIKeyRDQSDCMCEKVUEW-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.56
Rot. Bonds4

About CID 43558578

CID 43558578 (PubChem CID 43558578) has the molecular formula C14H18FN2O and a molecular weight of 249.31 g/mol.

Molecular Properties

Compound NameCID 43558578
PubChem CID43558578
Molecular FormulaC14H18FN2O
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name—
SMILESO=C(CCC1CCC[N]C1)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN2O/c15-12-4-6-13(7-5-12)17-14(18)8-3-11-2-1-9-16-10-11/h4-7,11H,1-3,8-10H2,(H,17,18)
InChIKeyRDQSDCMCEKVUEW-UHFFFAOYSA-N
XLogP2.56
TPSA43.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 43558538
CID 43558538
CID 43558685
CID 43558685
N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide
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3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
N-(4-fluorophenyl)-3-hydroxypropanamide
CID 12748696
3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38166746
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 874154
3-[3-(cyclopentylamino)-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 53138057

Frequently Asked Questions

What is the IUPAC name of CID 43558578?
The IUPAC name of CID 43558578 (CID 43558578) is not available.
What is the SMILES notation for CID 43558578?
The canonical SMILES for CID 43558578 is O=C(CCC1CCC[N]C1)Nc1ccc(F)cc1.
What is the InChIKey of CID 43558578?
The InChIKey is RDQSDCMCEKVUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN2O/c15-12-4-6-13(7-5-12)17-14(18)8-3-11-2-1-9-16-10-11/h4-7,11H,1-3,8-10H2,(H,17,18).
What are the key properties of CID 43558578?
CID 43558578 has a molecular weight of 249.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 43558578 is sourced from PubChem (CID 43558578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).