[3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone

C16H19ClFNO2 — CID 53008518

IUPAC[3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CC(OCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C16H19ClFNO2/c17-15-7-13(18)6-5-12(15)10-21-14-8-19(9-14)16(20)11-3-1-2-4-11/h5-7,11,14H,1-4,8-10H2
InChIKeyOVBDNDXDZROREE-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.40
Rot. Bonds4

About [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone

[3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone (PubChem CID 53008518) has the molecular formula C16H19ClFNO2 and a molecular weight of 311.78 g/mol. Its IUPAC name is [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone
PubChem CID53008518
Molecular FormulaC16H19ClFNO2
Molecular Weight311.78 g/mol
Exact Mass311.11
IUPAC Name[3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CC(OCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C16H19ClFNO2/c17-15-7-13(18)6-5-12(15)10-21-14-8-19(9-14)16(20)11-3-1-2-4-11/h5-7,11,14H,1-4,8-10H2
InChIKeyOVBDNDXDZROREE-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone (CID 53008518) is [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CC(OCc2ccc(F)cc2Cl)C1.
What is the InChIKey of [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone?
The InChIKey is OVBDNDXDZROREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO2/c17-15-7-13(18)6-5-12(15)10-21-14-8-19(9-14)16(20)11-3-1-2-4-11/h5-7,11,14H,1-4,8-10H2.
What are the key properties of [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone?
[3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone has a molecular weight of 311.78 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-4-fluorophenyl)methoxy]azetidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 53008518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).