N-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide

C20H27FN2O2 — CID 118304968

IUPACN-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide
SMILESO=C(NC1CCCC1)c1cc(C2CC2NC2CCOCC2)ccc1F
InChIInChI=1S/C20H27FN2O2/c21-18-6-5-13(11-17(18)20(24)23-14-3-1-2-4-14)16-12-19(16)22-15-7-9-25-10-8-15/h5-6,11,14-16,19,22H,1-4,7-10,12H2,(H,23,24)
InChIKeyCVWUOWRSLHVOQS-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.12
Rot. Bonds5

About N-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide

N-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide (PubChem CID 118304968) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide
PubChem CID118304968
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide
SMILESO=C(NC1CCCC1)c1cc(C2CC2NC2CCOCC2)ccc1F
InChIInChI=1S/C20H27FN2O2/c21-18-6-5-13(11-17(18)20(24)23-14-3-1-2-4-14)16-12-19(16)22-15-7-9-25-10-8-15/h5-6,11,14-16,19,22H,1-4,7-10,12H2,(H,23,24)
InChIKeyCVWUOWRSLHVOQS-UHFFFAOYSA-N
XLogP3.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
The IUPAC name of N-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide (CID 118304968) is N-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide.
What is the SMILES notation for N-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
The canonical SMILES for N-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide is O=C(NC1CCCC1)c1cc(C2CC2NC2CCOCC2)ccc1F.
What is the InChIKey of N-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
The InChIKey is CVWUOWRSLHVOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-18-6-5-13(11-17(18)20(24)23-14-3-1-2-4-14)16-12-19(16)22-15-7-9-25-10-8-15/h5-6,11,14-16,19,22H,1-4,7-10,12H2,(H,23,24).
What are the key properties of N-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide?
N-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-fluoro-5-[2-(oxan-4-ylamino)cyclopropyl]benzamide is sourced from PubChem (CID 118304968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).