N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide

C12H15F2NO4 — CID 170830406

IUPACN-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCOc1c(F)cc(F)cc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C12H15F2NO4/c1-6(16)15-5-10(17)11(18)8-3-7(13)4-9(14)12(8)19-2/h3-4,10-11,17-18H,5H2,1-2H3,(H,15,16)
InChIKeyPDQDYGJBEITLGE-UHFFFAOYSA-N
MW275.25 g/mol
LogP0.50
Rot. Bonds5

About N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170830406) has the molecular formula C12H15F2NO4 and a molecular weight of 275.25 g/mol. Its IUPAC name is N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170830406
Molecular FormulaC12H15F2NO4
Molecular Weight275.25 g/mol
Exact Mass275.10
IUPAC NameN-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCOc1c(F)cc(F)cc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C12H15F2NO4/c1-6(16)15-5-10(17)11(18)8-3-7(13)4-9(14)12(8)19-2/h3-4,10-11,17-18H,5H2,1-2H3,(H,15,16)
InChIKeyPDQDYGJBEITLGE-UHFFFAOYSA-N
XLogP0.50
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-1-(3,5-difluoro-2-methoxyphenyl)propane-1,2-diol
CID 171862381
N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829935
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
1-(3,5-difluoro-2-methoxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171874440
N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830542
N-[3-(5-formyl-2,3-dimethoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831222
N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830125
N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829944
4-(3-acetamido-1,2-dihydroxypropyl)-2,5-difluorobenzoic acid
CID 170830635
N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829540
N-[2,3-dihydroxy-3-(4-methoxy-2,5-dimethylphenyl)propyl]acetamide
CID 170830397
N-[3-(2-bromo-4,5-dimethoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831307

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide (CID 170830406) is N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide is COc1c(F)cc(F)cc1C(O)C(O)CNC(C)=O.
What is the InChIKey of N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is PDQDYGJBEITLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4/c1-6(16)15-5-10(17)11(18)8-3-7(13)4-9(14)12(8)19-2/h3-4,10-11,17-18H,5H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 275.25 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluoro-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).