N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide

C11H13ClFNO4 — CID 170830014

IUPACN-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(Cl)cc(F)c1O
InChIInChI=1S/C11H13ClFNO4/c1-5(15)14-4-9(16)11(18)7-2-6(12)3-8(13)10(7)17/h2-3,9,11,16-18H,4H2,1H3,(H,14,15)
InChIKeyFHPYCJXVLMIFRX-UHFFFAOYSA-N
MW277.68 g/mol
LogP0.72
Rot. Bonds4

About N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170830014) has the molecular formula C11H13ClFNO4 and a molecular weight of 277.68 g/mol. Its IUPAC name is N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170830014
Molecular FormulaC11H13ClFNO4
Molecular Weight277.68 g/mol
Exact Mass277.05
IUPAC NameN-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc(Cl)cc(F)c1O
InChIInChI=1S/C11H13ClFNO4/c1-5(15)14-4-9(16)11(18)7-2-6(12)3-8(13)10(7)17/h2-3,9,11,16-18H,4H2,1H3,(H,14,15)
InChIKeyFHPYCJXVLMIFRX-UHFFFAOYSA-N
XLogP0.72
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide
CID 170829873
4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877631
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol
CID 170817814
N-[3-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829808
9H-fluoren-9-ylmethyl N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170834129
N-[3-(5-cyano-2-fluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830081
4-(3-acetamido-1,2-dihydroxypropyl)-2-chloro-5-fluorobenzoic acid
CID 170830634
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633
N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829889
1-(5-chloro-3-fluoro-2-hydroxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171874048
N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830125

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide (CID 170830014) is N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cc(Cl)cc(F)c1O.
What is the InChIKey of N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is FHPYCJXVLMIFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO4/c1-5(15)14-4-9(16)11(18)7-2-6(12)3-8(13)10(7)17/h2-3,9,11,16-18H,4H2,1H3,(H,14,15).
What are the key properties of N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 277.68 g/mol, XLogP of 0.72, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).