N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide

C11H12ClF3N2O3 — CID 170830717

IUPACN-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H12ClF3N2O3/c1-5(18)16-4-8(19)10(20)9-7(12)2-6(3-17-9)11(13,14)15/h2-3,8,10,19-20H,4H2,1H3,(H,16,18)
InChIKeySAKXIUQYVXNBGF-UHFFFAOYSA-N
MW312.68 g/mol
LogP1.28
Rot. Bonds4

About N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide

N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide (PubChem CID 170830717) has the molecular formula C11H12ClF3N2O3 and a molecular weight of 312.68 g/mol. Its IUPAC name is N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide
PubChem CID170830717
Molecular FormulaC11H12ClF3N2O3
Molecular Weight312.68 g/mol
Exact Mass312.05
IUPAC NameN-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H12ClF3N2O3/c1-5(18)16-4-8(19)10(20)9-7(12)2-6(3-17-9)11(13,14)15/h2-3,8,10,19-20H,4H2,1H3,(H,16,18)
InChIKeySAKXIUQYVXNBGF-UHFFFAOYSA-N
XLogP1.28
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-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

N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830904
N-[3-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829808
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide
CID 170830460
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201271
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropanenitrile
CID 171870889
3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
CID 138603693
N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 87667694
1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol
CID 171858601
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
CID 62676790
ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 124583640
N-[2-acetamido-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-3-iodothiophene-2-carboxamide
CID 66798431

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide (CID 170830717) is N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide?
The InChIKey is SAKXIUQYVXNBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O3/c1-5(18)16-4-8(19)10(20)9-7(12)2-6(3-17-9)11(13,14)15/h2-3,8,10,19-20H,4H2,1H3,(H,16,18).
What are the key properties of N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide?
N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide has a molecular weight of 312.68 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).