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

C11H13F3N2O2 — CID 114093423

IUPAC2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide
SMILESO=C(CNCC(O)C(F)F)Nc1cccc(F)c1
InChIInChI=1S/C11H13F3N2O2/c12-7-2-1-3-8(4-7)16-10(18)6-15-5-9(17)11(13)14/h1-4,9,11,15,17H,5-6H2,(H,16,18)
InChIKeyXCKZYJCJLVKDAN-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.98
Rot. Bonds6

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

2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide (PubChem CID 114093423) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide
PubChem CID114093423
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide
SMILESO=C(CNCC(O)C(F)F)Nc1cccc(F)c1
InChIInChI=1S/C11H13F3N2O2/c12-7-2-1-3-8(4-7)16-10(18)6-15-5-9(17)11(13)14/h1-4,9,11,15,17H,5-6H2,(H,16,18)
InChIKeyXCKZYJCJLVKDAN-UHFFFAOYSA-N
XLogP0.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide
CID 55108758
2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide
CID 103601437
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
N-(3-fluorophenyl)-2-(2-methylprop-2-enylamino)acetamide
CID 115745242
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
N-(3-fluorophenyl)-2-(4-hydroxybutylamino)acetamide
CID 113268571
N-(3-fluorophenyl)-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582619
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide
CID 49464511
3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106277204
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide (CID 114093423) is 2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide is O=C(CNCC(O)C(F)F)Nc1cccc(F)c1.
What is the InChIKey of 2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide?
The InChIKey is XCKZYJCJLVKDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-7-2-1-3-8(4-7)16-10(18)6-15-5-9(17)11(13)14/h1-4,9,11,15,17H,5-6H2,(H,16,18).
What are the key properties of 2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide?
2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide has a molecular weight of 262.23 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoro-2-hydroxypropyl)amino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 114093423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).