N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide

C13H16F3NO4 — CID 170831338

IUPACN-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide
SMILESCOc1ccc(C(F)(F)F)cc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C13H16F3NO4/c1-7(18)17-6-10(19)12(20)9-5-8(13(14,15)16)3-4-11(9)21-2/h3-5,10,12,19-20H,6H2,1-2H3,(H,17,18)
InChIKeyXZUVQMVPNCZWBZ-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.24
Rot. Bonds5

About N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide

N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide (PubChem CID 170831338) has the molecular formula C13H16F3NO4 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide
PubChem CID170831338
Molecular FormulaC13H16F3NO4
Molecular Weight307.27 g/mol
Exact Mass307.10
IUPAC NameN-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide
SMILESCOc1ccc(C(F)(F)F)cc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C13H16F3NO4/c1-7(18)17-6-10(19)12(20)9-5-8(13(14,15)16)3-4-11(9)21-2/h3-5,10,12,19-20H,6H2,1-2H3,(H,17,18)
InChIKeyXZUVQMVPNCZWBZ-UHFFFAOYSA-N
XLogP1.24
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-acetyl-2-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830619
N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830904
N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide
CID 170830867
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
N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830542
2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 83949728
5-[2-methoxy-5-(trifluoromethyl)phenyl]hexan-2-one
CID 83921024
N-[3,4-dihydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]butyl]acetamide
CID 171883561
N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829935
N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170831311
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide (CID 170831338) is N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide is COc1ccc(C(F)(F)F)cc1C(O)C(O)CNC(C)=O.
What is the InChIKey of N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide?
The InChIKey is XZUVQMVPNCZWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO4/c1-7(18)17-6-10(19)12(20)9-5-8(13(14,15)16)3-4-11(9)21-2/h3-5,10,12,19-20H,6H2,1-2H3,(H,17,18).
What are the key properties of N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide?
N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide has a molecular weight of 307.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide is sourced from PubChem (CID 170831338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).