2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide

C12H16F2N2O3 — CID 104857751

IUPAC2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNCC(F)(F)CO)cc1
InChIInChI=1S/C12H16F2N2O3/c13-12(14,8-17)7-16-5-9-1-3-10(4-2-9)19-6-11(15)18/h1-4,16-17H,5-8H2,(H2,15,18)
InChIKeyCQCBQRBTFBXJLS-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.27
Rot. Bonds8

About 2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide

2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide (PubChem CID 104857751) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide
PubChem CID104857751
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNCC(F)(F)CO)cc1
InChIInChI=1S/C12H16F2N2O3/c13-12(14,8-17)7-16-5-9-1-3-10(4-2-9)19-6-11(15)18/h1-4,16-17H,5-8H2,(H2,15,18)
InChIKeyCQCBQRBTFBXJLS-UHFFFAOYSA-N
XLogP0.27
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide
CID 102609863
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
2-[4-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]phenoxy]acetamide
CID 106209969
3-[(4-bromophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857699
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264
N-(2,2-difluoro-3-hydroxypropyl)-2-(4-ethylphenoxy)acetamide
CID 104857091
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
4-(2-amino-2-oxoethoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 17452852
2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid
CID 71422873
2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 106125082
2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide
CID 115630578

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide (CID 104857751) is 2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide is NC(=O)COc1ccc(CNCC(F)(F)CO)cc1.
What is the InChIKey of 2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide?
The InChIKey is CQCBQRBTFBXJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c13-12(14,8-17)7-16-5-9-1-3-10(4-2-9)19-6-11(15)18/h1-4,16-17H,5-8H2,(H2,15,18).
What are the key properties of 2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide?
2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide has a molecular weight of 274.27 g/mol, XLogP of 0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 104857751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).