N-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide

C11H20F2N2O2 — CID 106176112

IUPACN-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
SMILESO=C(CNCC(F)(F)CO)NC1CCCCC1
InChIInChI=1S/C11H20F2N2O2/c12-11(13,8-16)7-14-6-10(17)15-9-4-2-1-3-5-9/h9,14,16H,1-8H2,(H,15,17)
InChIKeyIZJLFQPRCLADKO-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.65
Rot. Bonds6

About N-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide

N-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide (PubChem CID 106176112) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
PubChem CID106176112
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC NameN-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
SMILESO=C(CNCC(F)(F)CO)NC1CCCCC1
InChIInChI=1S/C11H20F2N2O2/c12-11(13,8-16)7-14-6-10(17)15-9-4-2-1-3-5-9/h9,14,16H,1-8H2,(H,15,17)
InChIKeyIZJLFQPRCLADKO-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide (CID 106176112) is N-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide is O=C(CNCC(F)(F)CO)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
The InChIKey is IZJLFQPRCLADKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c12-11(13,8-16)7-14-6-10(17)15-9-4-2-1-3-5-9/h9,14,16H,1-8H2,(H,15,17).
What are the key properties of N-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
N-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide has a molecular weight of 250.29 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide is sourced from PubChem (CID 106176112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).