2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide

C11H10Cl2F3N3O — CID 139405307

IUPAC2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide
SMILESO=C(CCl)Nc1cc(N(C2CC2)C(F)(F)F)ncc1Cl
InChIInChI=1S/C11H10Cl2F3N3O/c12-4-10(20)18-8-3-9(17-5-7(8)13)19(6-1-2-6)11(14,15)16/h3,5-6H,1-2,4H2,(H,17,18,20)
InChIKeyJHTGRMUSIISKGR-UHFFFAOYSA-N
MW328.12 g/mol
LogP3.40
Rot. Bonds4

About 2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide

2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide (PubChem CID 139405307) has the molecular formula C11H10Cl2F3N3O and a molecular weight of 328.12 g/mol. Its IUPAC name is 2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide
PubChem CID139405307
Molecular FormulaC11H10Cl2F3N3O
Molecular Weight328.12 g/mol
Exact Mass327.02
IUPAC Name2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide
SMILESO=C(CCl)Nc1cc(N(C2CC2)C(F)(F)F)ncc1Cl
InChIInChI=1S/C11H10Cl2F3N3O/c12-4-10(20)18-8-3-9(17-5-7(8)13)19(6-1-2-6)11(14,15)16/h3,5-6H,1-2,4H2,(H,17,18,20)
InChIKeyJHTGRMUSIISKGR-UHFFFAOYSA-N
XLogP3.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[5-chloro-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl-methylamino]-4-pyridinyl]acetamide
CID 139405120
2-chloro-N-(5-chloro-2-morpholin-4-yl-4-pyridinyl)acetamide
CID 139405306
2-chloro-N-[3-chloro-2-hydroxy-5-(trifluoromethoxy)phenyl]acetamide
CID 54262088
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
5,6-dichloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 54984054
2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 83315794
2-[(2-chloroacetyl)amino]-5-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-methylbenzamide
CID 110208767
5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62238262
2-chloro-N-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130473225
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486
2-amino-5-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114922544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide (CID 139405307) is 2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide is O=C(CCl)Nc1cc(N(C2CC2)C(F)(F)F)ncc1Cl.
What is the InChIKey of 2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide?
The InChIKey is JHTGRMUSIISKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F3N3O/c12-4-10(20)18-8-3-9(17-5-7(8)13)19(6-1-2-6)11(14,15)16/h3,5-6H,1-2,4H2,(H,17,18,20).
What are the key properties of 2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide?
2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide has a molecular weight of 328.12 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-chloro-2-[cyclopropyl(trifluoromethyl)amino]-4-pyridinyl]acetamide is sourced from PubChem (CID 139405307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).