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

C9H16F2N2O2 — CID 106176452

IUPACN-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
SMILESO=C(CNCC(F)(F)CO)NCC1CC1
InChIInChI=1S/C9H16F2N2O2/c10-9(11,6-14)5-12-4-8(15)13-3-7-1-2-7/h7,12,14H,1-6H2,(H,13,15)
InChIKeyHRLBBYFXYBUSNX-UHFFFAOYSA-N
MW222.23 g/mol
LogP-0.27
Rot. Bonds7

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

N-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide (PubChem CID 106176452) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
PubChem CID106176452
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC NameN-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
SMILESO=C(CNCC(F)(F)CO)NCC1CC1
InChIInChI=1S/C9H16F2N2O2/c10-9(11,6-14)5-12-4-8(15)13-3-7-1-2-7/h7,12,14H,1-6H2,(H,13,15)
InChIKeyHRLBBYFXYBUSNX-UHFFFAOYSA-N
XLogP-0.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106176276
3-(cyclohexylmethylamino)-2,2-difluoropropan-1-ol
CID 104857665
2-(cyclopropylmethylamino)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 60841585
2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106133433
N-(cyclopropylmethyl)-2-[(2-hydroxy-2-methylpentyl)amino]acetamide
CID 106292896
2,2-difluoro-3-[(1-methylpiperidin-4-yl)methylamino]propan-1-ol
CID 106173015
N-(thiolan-3-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 107296147
4-[[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79532320
N-[(3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235209
2-(cyclopropylmethylamino)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65107560
N-(cyclopropylmethyl)-2-(2-methylpropylamino)acetamide
CID 28566205
N-benzyl-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide
CID 106175936

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide (CID 106176452) is N-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide is O=C(CNCC(F)(F)CO)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
The InChIKey is HRLBBYFXYBUSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-9(11,6-14)5-12-4-8(15)13-3-7-1-2-7/h7,12,14H,1-6H2,(H,13,15).
What are the key properties of N-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide?
N-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide has a molecular weight of 222.23 g/mol, XLogP of -0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]acetamide is sourced from PubChem (CID 106176452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).