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

C10H9Cl2F3N2O — CID 53405659

IUPAC2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
SMILESO=C(CCl)NCCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9Cl2F3N2O/c11-4-9(18)16-2-1-8-7(12)3-6(5-17-8)10(13,14)15/h3,5H,1-2,4H2,(H,16,18)
InChIKeySRTODSRGNZYUMV-UHFFFAOYSA-N
MW301.10 g/mol
LogP2.65
Rot. Bonds4

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

2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide (PubChem CID 53405659) has the molecular formula C10H9Cl2F3N2O and a molecular weight of 301.10 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
PubChem CID53405659
Molecular FormulaC10H9Cl2F3N2O
Molecular Weight301.10 g/mol
Exact Mass300.00
IUPAC Name2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
SMILESO=C(CCl)NCCc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9Cl2F3N2O/c11-4-9(18)16-2-1-8-7(12)3-6(5-17-8)10(13,14)15/h3,5H,1-2,4H2,(H,16,18)
InChIKeySRTODSRGNZYUMV-UHFFFAOYSA-N
XLogP2.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
CID 3759280
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethylazanium chloride
CID 22637222
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(cyclopropylmethyl)ethanamine
CID 134569795
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 22027356
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 110208650
N',2-bis[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetohydrazide
CID 5144250
2-butyl-3-chloro-5-(trifluoromethyl)pyridine
CID 68842183
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]piperazin-1-yl]ethyl]acetamide
CID 3294419
2-but-3-ynyl-3-chloro-5-(trifluoromethyl)pyridine
CID 166452013
2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride
CID 18526045
2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride
CID 119893779

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide (CID 53405659) is 2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide is O=C(CCl)NCCc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
The InChIKey is SRTODSRGNZYUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F3N2O/c11-4-9(18)16-2-1-8-7(12)3-6(5-17-8)10(13,14)15/h3,5H,1-2,4H2,(H,16,18).
What are the key properties of 2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide?
2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide has a molecular weight of 301.10 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 53405659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).