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

C15H10ClF6N3O — CID 7592959

IUPAC2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccnc1Cl
InChIInChI=1S/C15H10ClF6N3O/c16-13-11(2-1-3-23-13)25-12(26)7-24-10-5-8(14(17,18)19)4-9(6-10)15(20,21)22/h1-6,24H,7H2,(H,25,26)
InChIKeyQQBHFAHQQZYPNW-UHFFFAOYSA-N
MW397.71 g/mol
LogP4.82
Rot. Bonds4

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

2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 7592959) has the molecular formula C15H10ClF6N3O and a molecular weight of 397.71 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID7592959
Molecular FormulaC15H10ClF6N3O
Molecular Weight397.71 g/mol
Exact Mass397.04
IUPAC Name2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccnc1Cl
InChIInChI=1S/C15H10ClF6N3O/c16-13-11(2-1-3-23-13)25-12(26)7-24-10-5-8(14(17,18)19)4-9(6-10)15(20,21)22/h1-6,24H,7H2,(H,25,26)
InChIKeyQQBHFAHQQZYPNW-UHFFFAOYSA-N
XLogP4.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.71
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-(2-chloro-3-pyridinyl)acetamide
CID 60661396
2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide
CID 7774992
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
2-[3,5-bis(trifluoromethyl)anilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 7922738
N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4847268
N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
CID 3523141
4-[(2-chloro-3-pyridinyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302439
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-(2-chloro-3-pyridinyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 18276902
N-(2-chloro-3-pyridinyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 7844984
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-chloro-3-pyridinyl)acetamide
CID 9129529

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide (CID 7592959) is 2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide is O=C(CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cccnc1Cl.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is QQBHFAHQQZYPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF6N3O/c16-13-11(2-1-3-23-13)25-12(26)7-24-10-5-8(14(17,18)19)4-9(6-10)15(20,21)22/h1-6,24H,7H2,(H,25,26).
What are the key properties of 2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide?
2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 397.71 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 7592959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).