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

C14H11ClF3N3O — CID 113035470

IUPACN-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C14H11ClF3N3O/c1-8(22)20-13-5-3-10(7-19-13)21-12-6-9(14(16,17)18)2-4-11(12)15/h2-7,21H,1H3,(H,19,20,22)
InChIKeyQIOYBIHBIITLHQ-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.46
Rot. Bonds3

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

N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide (PubChem CID 113035470) has the molecular formula C14H11ClF3N3O and a molecular weight of 329.71 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
PubChem CID113035470
Molecular FormulaC14H11ClF3N3O
Molecular Weight329.71 g/mol
Exact Mass329.05
IUPAC NameN-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)cn1
InChIInChI=1S/C14H11ClF3N3O/c1-8(22)20-13-5-3-10(7-19-13)21-12-6-9(14(16,17)18)2-4-11(12)15/h2-7,21H,1H3,(H,19,20,22)
InChIKeyQIOYBIHBIITLHQ-UHFFFAOYSA-N
XLogP4.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
CID 113035471
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide
CID 113035472
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113035477
ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020838
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
5-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109200549
5-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183964
N-[5-(2,5-dichloroanilino)-2-pyridinyl]propanamide
CID 113036750
6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160757
1-[5-(2,5-dichloroanilino)-2-pyridinyl]-3-propan-2-ylurea
CID 113036774
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181346
2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid
CID 60862551

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide (CID 113035470) is N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)cn1.
What is the InChIKey of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide?
The InChIKey is QIOYBIHBIITLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O/c1-8(22)20-13-5-3-10(7-19-13)21-12-6-9(14(16,17)18)2-4-11(12)15/h2-7,21H,1H3,(H,19,20,22).
What are the key properties of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide?
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide has a molecular weight of 329.71 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide is sourced from PubChem (CID 113035470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).