3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide

C15H17ClFNO2 — CID 77125023

IUPAC3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1c(F)cccc1Cl)NCC1CCCC1O
InChIInChI=1S/C15H17ClFNO2/c16-12-4-2-5-13(17)11(12)7-8-15(20)18-9-10-3-1-6-14(10)19/h2,4-5,7-8,10,14,19H,1,3,6,9H2,(H,18,20)
InChIKeyZYMOLHBXNQIJDI-UHFFFAOYSA-N
MW297.76 g/mol
LogP2.77
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide

3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide (PubChem CID 77125023) has the molecular formula C15H17ClFNO2 and a molecular weight of 297.76 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
PubChem CID77125023
Molecular FormulaC15H17ClFNO2
Molecular Weight297.76 g/mol
Exact Mass297.09
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1c(F)cccc1Cl)NCC1CCCC1O
InChIInChI=1S/C15H17ClFNO2/c16-12-4-2-5-13(17)11(12)7-8-15(20)18-9-10-3-1-6-14(10)19/h2,4-5,7-8,10,14,19H,1,3,6,9H2,(H,18,20)
InChIKeyZYMOLHBXNQIJDI-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide (CID 77125023) is 3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide is O=C(C=Cc1c(F)cccc1Cl)NCC1CCCC1O.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide?
The InChIKey is ZYMOLHBXNQIJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO2/c16-12-4-2-5-13(17)11(12)7-8-15(20)18-9-10-3-1-6-14(10)19/h2,4-5,7-8,10,14,19H,1,3,6,9H2,(H,18,20).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide?
3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide has a molecular weight of 297.76 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide is sourced from PubChem (CID 77125023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).