N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide

C12H20F2N2O3 — CID 103770516

IUPACN-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide
SMILESO=C(CCNC(=O)C1CCCC1)NCC(O)C(F)F
InChIInChI=1S/C12H20F2N2O3/c13-11(14)9(17)7-16-10(18)5-6-15-12(19)8-3-1-2-4-8/h8-9,11,17H,1-7H2,(H,15,19)(H,16,18)
InChIKeyDASUZJSAQRUMDF-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.43
Rot. Bonds7

About N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide

N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide (PubChem CID 103770516) has the molecular formula C12H20F2N2O3 and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide
PubChem CID103770516
Molecular FormulaC12H20F2N2O3
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC NameN-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide
SMILESO=C(CCNC(=O)C1CCCC1)NCC(O)C(F)F
InChIInChI=1S/C12H20F2N2O3/c13-11(14)9(17)7-16-10(18)5-6-15-12(19)8-3-1-2-4-8/h8-9,11,17H,1-7H2,(H,15,19)(H,16,18)
InChIKeyDASUZJSAQRUMDF-UHFFFAOYSA-N
XLogP0.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide (CID 103770516) is N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide is O=C(CCNC(=O)C1CCCC1)NCC(O)C(F)F.
What is the InChIKey of N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide?
The InChIKey is DASUZJSAQRUMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O3/c13-11(14)9(17)7-16-10(18)5-6-15-12(19)8-3-1-2-4-8/h8-9,11,17H,1-7H2,(H,15,19)(H,16,18).
What are the key properties of N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide?
N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide has a molecular weight of 278.30 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide is sourced from PubChem (CID 103770516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).