2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide

C20H22ClFN2O2 — CID 11485716

IUPAC2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1NCc1cccc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C20H22ClFN2O2/c21-16-8-3-6-13(11-24-18-10-4-7-15(18)20(23)25)19(16)26-12-14-5-1-2-9-17(14)22/h1-3,5-6,8-9,15,18,24H,4,7,10-12H2,(H2,23,25)
InChIKeyKSLHPUPLSBGNCH-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.80
Rot. Bonds7

About 2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide

2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide (PubChem CID 11485716) has the molecular formula C20H22ClFN2O2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide
PubChem CID11485716
Molecular FormulaC20H22ClFN2O2
Molecular Weight376.86 g/mol
Exact Mass376.14
IUPAC Name2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide
SMILESNC(=O)C1CCCC1NCc1cccc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C20H22ClFN2O2/c21-16-8-3-6-13(11-24-18-10-4-7-15(18)20(23)25)19(16)26-12-14-5-1-2-9-17(14)22/h1-3,5-6,8-9,15,18,24H,4,7,10-12H2,(H2,23,25)
InChIKeyKSLHPUPLSBGNCH-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide?
The IUPAC name of 2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide (CID 11485716) is 2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide?
The canonical SMILES for 2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide is NC(=O)C1CCCC1NCc1cccc(Cl)c1OCc1ccccc1F.
What is the InChIKey of 2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide?
The InChIKey is KSLHPUPLSBGNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O2/c21-16-8-3-6-13(11-24-18-10-4-7-15(18)20(23)25)19(16)26-12-14-5-1-2-9-17(14)22/h1-3,5-6,8-9,15,18,24H,4,7,10-12H2,(H2,23,25).
What are the key properties of 2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide?
2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide has a molecular weight of 376.86 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 11485716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).