N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide

C12H12Cl2F3NO3 — CID 170830904

IUPACN-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H12Cl2F3NO3/c1-5(19)18-4-9(20)11(21)10-7(13)2-6(3-8(10)14)12(15,16)17/h2-3,9,11,20-21H,4H2,1H3,(H,18,19)
InChIKeyQBADZMQTONSVLT-UHFFFAOYSA-N
MW346.13 g/mol
LogP2.54
Rot. Bonds4

About N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide

N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide (PubChem CID 170830904) has the molecular formula C12H12Cl2F3NO3 and a molecular weight of 346.13 g/mol. Its IUPAC name is N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
PubChem CID170830904
Molecular FormulaC12H12Cl2F3NO3
Molecular Weight346.13 g/mol
Exact Mass345.01
IUPAC NameN-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H12Cl2F3NO3/c1-5(19)18-4-9(20)11(21)10-7(13)2-6(3-8(10)14)12(15,16)17/h2-3,9,11,20-21H,4H2,1H3,(H,18,19)
InChIKeyQBADZMQTONSVLT-UHFFFAOYSA-N
XLogP2.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.13
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830135
N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide
CID 170830717
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818684
N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829889
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide
CID 170830460
N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide
CID 170831338
N-[2,3-dihydroxy-3-[3-nitro-5-(trifluoromethyl)phenyl]propyl]acetamide
CID 170831023
N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170831311
N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide
CID 170829873
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830578
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
4-(3-acetamido-1,2-dihydroxypropyl)-2-chloro-5-fluorobenzoic acid
CID 170830634

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide (CID 170830904) is N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide?
The InChIKey is QBADZMQTONSVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2F3NO3/c1-5(19)18-4-9(20)11(21)10-7(13)2-6(3-8(10)14)12(15,16)17/h2-3,9,11,20-21H,4H2,1H3,(H,18,19).
What are the key properties of N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide?
N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide has a molecular weight of 346.13 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).