2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide

C10H11F2NO3 — CID 139665561

IUPAC2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(F)(F)CO)cc1
InChIInChI=1S/C10H11F2NO3/c1-16-8-4-2-7(3-5-8)13-9(15)10(11,12)6-14/h2-5,14H,6H2,1H3,(H,13,15)
InChIKeyRGABXMCSAZEZIP-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.26
Rot. Bonds4

About 2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide

2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide (PubChem CID 139665561) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide
PubChem CID139665561
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(F)(F)CO)cc1
InChIInChI=1S/C10H11F2NO3/c1-16-8-4-2-7(3-5-8)13-9(15)10(11,12)6-14/h2-5,14H,6H2,1H3,(H,13,15)
InChIKeyRGABXMCSAZEZIP-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2,2-bis(4-methoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 2380112
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 158094253
2-amino-3,3,3-trifluoro-N-(4-methoxyphenyl)-2-methylpropanamide
CID 79788488
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-methoxyphenyl)nonanamide
CID 5048807
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)urea
CID 43392833
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
1,3-bis(4-methoxyphenyl)urea
CID 139045428
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
2-(4-methoxyphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711310
(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
CID 100726485
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438737

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide (CID 139665561) is 2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(F)(F)CO)cc1.
What is the InChIKey of 2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide?
The InChIKey is RGABXMCSAZEZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-16-8-4-2-7(3-5-8)13-9(15)10(11,12)6-14/h2-5,14H,6H2,1H3,(H,13,15).
What are the key properties of 2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide?
2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide has a molecular weight of 231.20 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 139665561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).